Phenylpropanoids and polyketides

p-Methoxycinnamic acid, 99%, predominantly trans, Acros Organics

CAS: 830-09-1 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00004398 InChI Key: AFDXODALSZRGIH-QPJJXVBHSA-N Synonym: 4-methoxycinnamic acid, p-methoxycinnamic acid, 3-4-methoxyphenyl acrylic acid, trans-4-methoxycinnamic acid, 4-methoxycinnamate, para-methoxycinnamic acid, o-methyl-p-coumaric acid, cinnamic acid, p-methoxy, e-3-4-methoxyphenyl acrylic acid, e-3-4-methoxyphenyl-2-propenoic acid PubChem CID: 699414 IUPAC Name: (E)-3-(4-methoxyphenyl)prop-2-enoic acid SMILES: COC1=CC=C(C=C1)C=CC(=O)O

Paraffin, liquid, pure, ACROS Organics™

CAS: 8012-95-1 Molecular Formula: C15H11ClO7 Molecular Weight (g/mol): 338.696 MDL Number: MFCD00131611 InChI Key: FFNDMZIBVDSQFI-UHFFFAOYSA-N Synonym: delphinidin chloride, delphinidin, delphinidine, delphinidol, ephdine, delfinidol chloride, unii-em6md4aehe, ccris 2518, em6md4aehe, 3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride PubChem CID: 68245 ChEBI: CHEBI:38701 IUPAC Name: 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride SMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O.[Cl-]

Dibenzoylmethane, 98%, Acros Organics

CAS: 120-46-7 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.26 MDL Number: MFCD00003085 InChI Key: NZZIMKJIVMHWJC-UHFFFAOYSA-N Synonym: dibenzoylmethane, 1,3-diphenyl-1,3-propanedione, 2-benzoylacetophenone, phenyl phenacyl ketone, 1,3-propanedione, 1,3-diphenyl, rhodiastab 83, omega-benzoylacetophenone, dibenzoyl-methane, karenzu dk2, unii-ans7me8okc PubChem CID: 8433 ChEBI: CHEBI:75417 IUPAC Name: 1,3-diphenylpropane-1,3-dione SMILES: C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2

Paraffin Liquid, Technical, d=0.88, for Oil Baths, Fisher Chemical

CAS: 8012-95-1 Molecular Formula: C15H11ClO7 Molecular Weight (g/mol): 338.696 MDL Number: 131611 InChI Key: FFNDMZIBVDSQFI-UHFFFAOYSA-N Synonym: delphinidin chloride, delphinidin, delphinidine, delphinidol, ephdine, delfinidol chloride, unii-em6md4aehe, ccris 2518, em6md4aehe, 3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride PubChem CID: 68245 ChEBI: CHEBI:38701 IUPAC Name: 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride SMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O.[Cl-]

Alfa Aesar™ Rapamycin, 99+%

CAS: 53123-88-9 Molecular Formula: C51H79NO13 Molecular Weight (g/mol): 914.187 MDL Number: MFCD00867594 InChI Key: QFJCIRLUMZQUOT-HPLJOQBZSA-N Synonym: Sirolimus; AY-22989 PubChem CID: 5284616 ChEBI: CHEBI:9168 SMILES: CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC

Coumarin, 99+%, ACROS Organics™

CAS: 91-64-5 Molecular Formula: C9H6O2 Molecular Weight (g/mol): 146.145 MDL Number: MFCD00006850 InChI Key: ZYGHJZDHTFUPRJ-UHFFFAOYSA-N Synonym: 2H-1-Benzopyran-2-one PubChem CID: 323 ChEBI: CHEBI:28794 IUPAC Name: chromen-2-one SMILES: C1=CC=C2C(=C1)C=CC(=O)O2

Curcumin (mixture of curcumin, demethoxycurcumin, and bisdemethoxycurcumin), 98+%, Acros Organics

CAS: 458-37-7 Molecular Formula: C21H20O6 Molecular Weight (g/mol): 368.38 InChI Key: VFLDPWHFBUODDF-FCXRPNKRSA-N Synonym: curcumin, diferuloylmethane, natural yellow 3, turmeric yellow, turmeric, curcuma, kacha haldi, gelbwurz, halad, curcumin i PubChem CID: 969516 ChEBI: CHEBI:3962 IUPAC Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione SMILES: COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O

Naringin, 97%, ACROS Organics™

CAS: 10236-47-2 Molecular Formula: C27H32O14 Molecular Weight (g/mol): 580.539 MDL Number: MFCD00148888 InChI Key: DFPMSGMNTNDNHN-ODOGPVEPSA-N PubChem CID: 74787988 IUPAC Name: 7-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O

Alfa Aesar™ 5Z-7-Oxozeaenol

CAS: 66018-38-0 Molecular Formula: C19H22O7 Molecular Weight (g/mol): 362.378 MDL Number: MFCD12912700 InChI Key: NEQZWEXWOFPKOT-UHFFFAOYSA-N Synonym: 8,9,16-trihydroxy-14-methoxy-3-methyl-4,8,9,10-tetrahydro-3h-2-benzoxacyclotetradecine-1,7-dione PubChem CID: 53442201 IUPAC Name: 5,6,15-trihydroxy-17-methoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,8,15,17-pentaene-7,13-dione SMILES: CC1CC=CC(=O)C(C(CC=CC2=CC(=CC(=C2C(=O)O1)O)OC)O)O

JLK 6, Tocris Bioscience™

CAS: 62252-26-0 Molecular Formula: C10H8ClNO3 Molecular Weight (g/mol): 225.628 InChI Key: AMDGKLWVCUXONP-UHFFFAOYSA-N Synonym: 7-amino-4-chloro-3-methoxyisocoumarin, jlk 6, jlk6, 7-amino-4-chloro-3-methoxy-isocoumarin, gamma-secretase inhibitor xi, 1h-2-benzopyran-1-one, 7-amino-4-chloro-3-methoxy, jlk-6, 3-methoxy-4-chloro-7-aminoisocoumarin, 7-amino-3-methoxy-4-chloroisocoumarin, 7-amino-4-chloro-3-methoxy-1h-2-benzopyran PubChem CID: 3803 IUPAC Name: 7-amino-4-chloro-3-methoxyisochromen-1-one SMILES: COC1=C(C2=C(C=C(C=C2)N)C(=O)O1)Cl

3-(Bromoacetyl)coumarin, 97%, Acros Organics™

CAS: 29310-88-1 Molecular Formula: C11H7BrO3 Molecular Weight (g/mol): 267.08 InChI Key: NTYOLVNSXVYRTJ-UHFFFAOYSA-N Synonym: 3-bromoacetyl coumarin, 3-2-bromoacetyl-2h-chromen-2-one, 3-2-bromoacetyl chromen-2-one, 3-bromoacetylcoumarin, 3-bromoacetyl-2h-chromen-2-one, 2h-1-benzopyran-2-one, 3-bromoacetyl, pubchem8670, rarechem ab ka k003, 3-2-bromoacetyl-coumarin PubChem CID: 2063461 IUPAC Name: 3-(2-bromoacetyl)chromen-2-one SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)CBr

Alfa Aesar™ 6,7-Dihydroxy-4-methylcoumarin, 97%

CAS: 529-84-0 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00006859 InChI Key: KVOJTUXGYQVLAJ-UHFFFAOYSA-N Synonym: 4-methylesculetin, 6,7-dihydroxy-4-methylcoumarin, methylesculetin, 6,7-dihydroxy-4-methyl-2h-chromen-2-one, 4-methylaesculetin, 4-methylesculetol, 4-methyl-6,7-dihydroxycoumarin, 2h-1-benzopyran-2-one, 6,7-dihydroxy-4-methyl, coumarin, 6,7-dihydroxy-4-methyl, 6,7-dihydroxy-4-methyl-2h-benzopyran-2-one PubChem CID: 5319502 IUPAC Name: 6,7-dihydroxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(=C(C=C12)O)O

Alfa Aesar™ N-(5-Hexynyl)phthalimide, 97%

CAS: 6097-08-1 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00671372 InChI Key: LZPNXAULYJPXEH-AATRIKPKSA-N Synonym: 3-methoxycinnamic acid, 3-3-methoxyphenyl acrylic acid, 2e-3-3-methoxyphenyl acrylic acid, 2e-3-3-methoxyphenyl prop-2-enoic acid, trans-3-methoxycinnamic acid, m-methoxycinnamic acid, trans-3-3-methoxyphenyl acrylic acid, e-3-3-methoxyphenyl acrylic acid, 2-propenoic acid, 3-3-methoxyphenyl-, 2e, trans-m-methoxycinnamic acid PubChem CID: 637668 IUPAC Name: (E)-3-(3-methoxyphenyl)prop-2-enoic acid SMILES: COC1=CC=CC(=C1)C=CC(=O)O

2,2-Dimethoxy-2-phenylacetophenone, 99%, ACROS Organics™

CAS: 24650-42-8 Molecular Formula: C16H16O3 Molecular Weight (g/mol): 256.29 MDL Number: MFCD00008475 InChI Key: KWVGIHKZDCUPEU-UHFFFAOYSA-N Synonym: 2,2-dimethoxy-2-phenylacetophenone, benzil dimethyl ketal, kayacure bdmk, irgacure 651, ethanone, 2,2-dimethoxy-1,2-diphenyl, lucirin bdk, photomer 51, benzil dimethylketal, esacure kb 1, irgacure 621 PubChem CID: 90571 IUPAC Name: 2,2-dimethoxy-1,2-diphenylethanone SMILES: COC(C1=CC=CC=C1)(C(=O)C2=CC=CC=C2)OC

7-Hydroxycoumarin, 99%, Acros Organics

CAS: 93-35-6 Molecular Formula: C9H6O3 Molecular Weight (g/mol): 162.14 MDL Number: MFCD00006878 InChI Key: ORHBXUUXSCNDEV-UHFFFAOYSA-N Synonym: 7-hydroxycoumarin, umbelliferone, 7-hydroxy-2h-chromen-2-one, hydrangin, skimmetin, 7-hydroxycoumarine, 7-oxycoumarin, hydrangine, skimmetine, umbelliferon PubChem CID: 5281426 ChEBI: CHEBI:27510 IUPAC Name: 7-hydroxychromen-2-one SMILES: C1=CC(=CC2=C1C=CC(=O)O2)O

Coumarin 343, Laser Grade, ACROS Organics™

CAS: 55804-65-4 Molecular Formula: C16H15NO4 Molecular Weight (g/mol): 285.299 MDL Number: MFCD00051335 InChI Key: KCDCNGXPPGQERR-UHFFFAOYSA-N PubChem CID: 108770 ChEBI: CHEBI:51941 SMILES: C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C(=O)O)CCCN3C1

alpha-Methylhydrocinnamic acid, 98%, Acros Organics

CAS: 1009-67-2 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.2 MDL Number: MFCD00192301 InChI Key: MCIIDRLDHRQKPH-UHFFFAOYSA-N Synonym: 2-benzylpropionic acid, alpha-methylhydrocinnamic acid, 2-methyl-3-phenylpropionic acid, 2-benzylpropanoic acid, 2-methyl-3-phenyl-propionic acid, acmc-20ao3h, alpha-methylhydrocinnamicacid, alpha-methyl-hydrocinnamic acid, 2-methyl-3-phenyl-propanoic acid, # PubChem CID: 99862 IUPAC Name: 2-methyl-3-phenylpropanoic acid SMILES: CC(CC1=CC=CC=C1)C(=O)O

Alfa Aesar™ 1,3-Diphenylacetone, 98+%

CAS: 102-04-5 Molecular Formula: C15H14O Molecular Weight (g/mol): 210.276 MDL Number: MFCD00004795 InChI Key: YFKBXYGUSOXJGS-UHFFFAOYSA-N Synonym: 1,3-diphenylacetone, dibenzyl ketone, 1,3-diphenyl-2-propanone, benzyl ketone, 2-propanone, 1,3-diphenyl, 1,3-diphenylpropanone, alpha,alpha'-diphenylacetone, 1,3-diphenyl-propan-2-one, unii-9y07g5udkq, fema no. 2397 PubChem CID: 7593 IUPAC Name: 1,3-diphenylpropan-2-one SMILES: C1=CC=C(C=C1)CC(=O)CC2=CC=CC=C2

Cinnamyl alcohol, 98% trans, ACROS Organics™

CAS: 104-54-1 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00002921 InChI Key: OOCCDEMITAIZTP-QPJJXVBHSA-N Synonym: cinnamyl alcohol, cinnamic alcohol, 3-phenyl-2-propen-1-ol, 3-phenylprop-2-en-1-ol, zimtalcohol, styryl carbinol, e-3-phenylprop-2-en-1-ol, 3-phenylallyl alcohol, trans-cinnamyl alcohol, styryl alcohol PubChem CID: 5315892 ChEBI: CHEBI:33227 IUPAC Name: (E)-3-phenylprop-2-en-1-ol SMILES: C1=CC=C(C=C1)C=CCO

3-(p-Tolyl)propionic acid, 97%, ACROS Organics™

CAS: 1505-50-6 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.2 MDL Number: MFCD00016561 InChI Key: LDYGRLNSOKABMM-UHFFFAOYSA-N Synonym: 3-4-methylphenyl propionic acid, 3-p-tolyl propionic acid, 3-p-tolyl propanoic acid, benzenepropanoic acid, 4-methyl, 3-4-methylphenyl propanoic acid, 4-methylphenylpropionic acid, 3-p-tolylpropanoic acid, p-methylhydrocinnamic acid, 4-methyl phenyl propionic acid, 4-methylhydrocinnamic acid PubChem CID: 73927 IUPAC Name: 3-(4-methylphenyl)propanoic acid SMILES: CC1=CC=C(C=C1)CCC(=O)O

Rutin, 97+%, ACROS Organics™

CAS: 153-18-4 Molecular Formula: C27H30O16·3H2O Molecular Weight (g/mol): 664.58 MDL Number: MFCD00006830 InChI Key: IKGXIBQEEMLURG-NVPNHPEKSA-N Synonym: rutin, rutoside, phytomelin, quercetin 3-rutinoside, birutan, eldrin, myrticolorin, venoruton, 3-rutinosyl quercetin, bioflavonoid PubChem CID: 5280805 ChEBI: CHEBI:28527 IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O

Chlortetracycline hydrochloride, specified according to the requirements of Ph.Eur., Acros Organics

CAS: 64-72-2 Molecular Formula: C22H23ClN2O8·HCl Molecular Weight (g/mol): 515.33 MDL Number: MFCD00082440 InChI Key: QYAPHLRPFNSDNH-CIVPRPTRSA-N Synonym: chlortetracycline hydrochloride, 4-epi-chlortetracycline hydrochloride, 2-amino hydroxy methylidene-7-chloro-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride, 2-azanyl oxidanyl methylidene-7-chloranyl-4-dimethylamino-6-methyl-6,10,11,12a-tetrakis oxidanyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride PubChem CID: 66577600 IUPAC Name: (4S,4aR,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride SMILES: CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O.Cl

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