Phenylpropanoids and polyketides
3,4-Dimethoxycinnamic acid, predominantly trans, 99%, Thermo Scientific™
CAS: 2316-26-9 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.213 MDL Number: MFCD00004387 InChI Key: HJBWJAPEBGSQPR-GQCTYLIASA-N Synonym: 3,4-dimethoxycinnamic acid,dimethylcaffeic acid,caffeic acid dimethyl ether,2e-3-3,4-dimethoxyphenyl prop-2-enoic acid,dimethyl caffeic acid,e-3-3,4-dimethoxyphenyl acrylic acid,e-3,4-dimethoxycinnamic acid,unii-bvz841pvjl,2e-3-3,4-dimethoxyphenyl acrylic acid,3-3,4-dimethoxyphenyl acrylic acid PubChem CID: 717531 ChEBI: CHEBI:86549 IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid SMILES: COC1=C(C=C(C=C1)C=CC(=O)O)OC
MP Biomedicals, Inc β(p-Aminophenyl)propionic Acid, MP Biomedicals
CAS: 2393-17-1 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 InChI Key: WXOHKMNWMKZMND-UHFFFAOYSA-N Synonym: 3-4-aminophenyl propionic acid,3-4-aminophenyl propanoic acid,4-aminohydrocinnamic acid,benzenepropanoic acid, 4-amino,3-p-aminophenyl propionic acid,beta-p-aminophenyl propionic acid,p-aminohydrocinnamic acid,4-aminobenzenepropanoic acid,benzenepropanoic acid,4-amino,beta-4-aminophenyl propionic acid PubChem CID: 75451 IUPAC Name: 3-(4-aminophenyl)propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)N
MP Biomedicals, Inc Sodium Cinnamate, MP Biomedicals
CAS: 538-42-1 Molecular Formula: C9H7NaO2 Molecular Weight (g/mol): 170.14 MDL Number: MFCD00064994 InChI Key: DXIHILNWDOYYCH-UHDJGPCESA-M Synonym: sodium cinnamate,fortificar,cinnamic acid, sodium salt,unii-1dkd3z3e4y,sodium 3-phenyl-2-propenoate,2-propenoic acid, 3-phenyl-, sodium salt,1dkd3z3e4y,cinnamylic acid sodium salt,sodium e-3-phenylprop-2-enoate,potassium cinnamate PubChem CID: 5462638 IUPAC Name: sodium (2E)-3-phenylprop-2-enoate SMILES: [Na+].[O-]C(=O)\C=C\C1=CC=CC=C1
MP Biomedicals, Inc Evernic Acid, MP Biomedicals
CAS: 537-09-7 Molecular Formula: C17H16O7 Molecular Weight (g/mol): 332.308 InChI Key: GODLCSLPZIBRMG-UHFFFAOYSA-N Synonym: evernic acid,unii-2eq5w5403j,lecanoric acid methyl ether,2,6-cresotic acid, 4-methoxy-, 4-ester with 6-methyl-beta-resorcylate,4-4-methoxy-6-methylsalicyloyl oxy-6-methylsalicylic acid,2-hydroxy-4-2-hydroxy-4-methoxy-6-methylbenzoyloxy-6-methylbenzoic acid,benzoic acid, 2-hydroxy-4-2-hydroxy-4-methoxy-6-methylbenzoyl oxy-6-methyl,evernic acid, pruiss,evernsaure PubChem CID: 10829 IUPAC Name: 2-hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-6-methylbenzoic acid SMILES: CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)O)O)O)OC
MP Biomedicals, Inc β(o-Hydroxyphenyl)propionic Acid,MP Biomedicals
CAS: 495-78-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 InChI Key: CJBDUOMQLFKVQC-UHFFFAOYSA-N Synonym: 3-2-hydroxyphenyl propanoic acid,3-2-hydroxyphenyl propionic acid,melilotic acid,benzenepropanoic acid, 2-hydroxy,melilotate,o-hydroxyphenylpropionic acid,2-hydroxybenzenepropanoic acid,3-o-hydroxyphenyl propionic acid,2-hydroxyphenylpropanoate,unii-cn1rk42mad PubChem CID: 873 ChEBI: CHEBI:16104 IUPAC Name: 3-(2-hydroxyphenyl)propanoic acid SMILES: C1=CC=C(C(=C1)CCC(=O)O)O
MP Biomedicals, Inc Dihydrofisetin, MP Biomedicals
CAS: 20725-03-5 Molecular Formula: C15H12O6 Molecular Weight (g/mol): 288.255 InChI Key: FNUPUYFWZXZMIE-LSDHHAIUSA-N Synonym: fustin,2,3-dihydrofisetin,fustin, +,unii-c308qr79ue,3,7,3',4'-tetrahydroxyflavanone,tetrahydroxyflavanone,+-fustin,fustin 2r,3r-form mi,flavanone, 3,3',4',7-tetrahydroxy-, +,3,7,3',4'-tetrahydroxy-flavanon PubChem CID: 5317435 IUPAC Name: (2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-2,3-dihydrochromen-4-one SMILES: C1=CC(=C(C=C1C2C(C(=O)C3=C(O2)C=C(C=C3)O)O)O)O
Thermo Scientific Chemicals Repaglinide
CAS: 135062-02-1 Molecular Formula: C27H36N2O4 Molecular Weight (g/mol): 452.60 MDL Number: MFCD00906179 InChI Key: FAEKWTJYAYMJKF-QHCPKHFHSA-N IUPAC Name: 2-ethoxy-4-({[(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl]carbamoyl}methyl)benzoic acid SMILES: CCOC1=CC(CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N2CCCCC2)=CC=C1C(O)=O
α-Fluorocinnamic Acid 98%, Thermo Scientific™
CAS: 350-90-3 Molecular Formula: C9H7FO2 Molecular Weight (g/mol): 166.151 InChI Key: QONCEXMULRJPPY-VURMDHGXSA-N Synonym: alpha-fluorocinnamic acid,.alpha.-fluorocinnamic acid,cinnamic acid, alpha-fluoro,z-alpha-fluorocinnamic acid,2-propenoic acid, 2-fluoro-3-phenyl,z-2-fluoro-3-phenylacrylic acid,2-fluoro-3-phenyl-2-propenoic acid,2z-2-fluoro-3-phenylprop-2-enoic acid,2-fluoro-3-phenylacrylic acid,cinnamic acid, .alpha.-fluoro PubChem CID: 1550911 IUPAC Name: (Z)-2-fluoro-3-phenylprop-2-enoic acid SMILES: C1=CC=C(C=C1)C=C(C(=O)O)F
Pentafluorophenyl 2-morpholinobenzoate, 97%, Thermo Scientific™
CAS: 906352-59-8 Molecular Formula: C17H12F5NO3 Molecular Weight (g/mol): 373.28 MDL Number: MFCD09025824 InChI Key: SMSUNMKSTOOWTF-UHFFFAOYSA-N Synonym: pentafluorophenyl 2-morpholinobenzoate,pentafluorophenyl 2-morpholin-4-ylbenzoate,pentafluorophenyl 2-morpholin-4-yl benzoate,2,3,4,5,6-pentafluorophenyl 2-morpholin-4-yl benzoate,perfluorophenyl 2-morpholinobenzoate,2,3,4,5,6-pentakis fluoranyl phenyl 2-morpholin-4-ylbenzoate,2-4-morpholinyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 24229476 SMILES: FC1=C(F)C(F)=C(OC(=O)C2=CC=CC=C2N2CCOCC2)C(F)=C1F
Doxorubicin Hydrochloride, Thermo Scientific Chemicals PROMO
CAS: 25316-40-9 Molecular Formula: C27H30ClNO11 Molecular Weight (g/mol): 579.98 g/mol MDL Number: MFCD00077757,MFCD00077757,MFCD00941448 InChI Key: MWWSFMDVAYGXBV-FGBJBKNOSA-N Synonym: doxorubicin hydrochloride,adriamycin,doxorubicin hcl,adriacin,adriblastina,rubex,adriamycin hydrochloride,adriblastin,adriamycin pfs PubChem CID: 129626538 IUPAC Name: hydrogen (8S,10S)-10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione chloride SMILES: [H+].[Cl-].COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3OC3CC(N)C(O)C(C)O3)C(=O)CO)C(O)=C1C2=O
2',4,4'-Trihydroxychalcone, 97%, Thermo Scientific™
CAS: 961-29-5 Molecular Formula: C15H12O4 Molecular Weight (g/mol): 256.257 MDL Number: MFCD00075907 InChI Key: DXDRHHKMWQZJHT-FPYGCLRLSA-N Synonym: isoliquiritigenin,2',4,4'-trihydroxychalcone,4,2',4'-trihydroxychalcone,6'-deoxychalcone,e-1-2,4-dihydroxyphenyl-3-4-hydroxyphenyl prop-2-en-1-one,2',4',4-trihydroxychalcone,isoliquirtigenin,unii-b9cti9gb8f,ccris 7676,chalcone, 2',4,4'-trihydroxy PubChem CID: 638278 ChEBI: CHEBI:310312 IUPAC Name: (E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one SMILES: C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O
Chrysophenine sodium salt, Thermo Scientific Chemicals
CAS: 2870-32-8 Molecular Formula: C30H26N4Na2O8S2 Molecular Weight (g/mol): 680.66 MDL Number: MFCD00007488 InChI Key: YQMJDPHTMKUEHG-RPKDOIGLSA-L Synonym: chrysophenine g,chrysophenine j,chrysophenine y,aurophenine o,chrysophenine gp,chrysophenine ns,direct yellow c,benzo yellow lg,erie yellow y,chrysophenine esp PubChem CID: 54603156 IUPAC Name: sodium;5-[(4-ethoxyphenyl)diazenyl]-2-[(E)-2-[4-[(4-ethoxyphenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid SMILES: [Na+].[Na+].CCOC1=CC=C(C=C1)N=NC1=CC=C(\C=C/C2=CC=C(C=C2S([O-])(=O)=O)N=NC2=CC=C(OCC)C=C2)C(=C1)S([O-])(=O)=O
L(-)-Epicatechin, Mixt. of ca 60% L(-)-Epicatechin and ca 40% Catechin, Thermo Scientific™
CAS: 490-46-0 Molecular Formula: C15H14O6 Molecular Weight (g/mol): 290.271 InChI Key: PFTAWBLQPZVEMU-UKRRQHHQSA-N Synonym: --epicatechin,epicatechin,l-epicatechin,--epicatechol,l-acacatechin,epicatechol,l-epicatechol,2r,3r-2-3,4-dihydroxyphenyl chroman-3,5,7-triol,-epicatechin,2r,3r---epicatechin PubChem CID: 72276 ChEBI: CHEBI:90 IUPAC Name: (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
2-Chlorocinnamic acid, predominantly trans, 99%, Thermo Scientific™
CAS: 3752-25-8 Molecular Formula: C9H7ClO2 Molecular Weight (g/mol): 182.603 MDL Number: MFCD00004372 InChI Key: KJRRTHHNKJBVBO-AATRIKPKSA-N Synonym: 2-chlorocinnamic acid,o-chlorocinnamic acid,3-2-chlorophenyl acrylic acid,2e-3-2-chlorophenyl acrylic acid,e-3-2-chlorophenyl acrylic acid,cinnamic acid, o-chloro,2e-3-2-chlorophenyl prop-2-enoic acid,2-propenoic acid, 3-2-chlorophenyl,e-o-chlorocinnamic acid,3-2-chlorophenyl-2-propenoic acid PubChem CID: 700642 IUPAC Name: (E)-3-(2-chlorophenyl)prop-2-enoic acid SMILES: C1=CC=C(C(=C1)C=CC(=O)O)Cl
4-Methylumbelliferyl acetate, 99%, Thermo Scientific™
CAS: 5-9-2747 ChEBI: CHEBI:17763