Phenylpropanoids and polyketides
Daidzein, 98.7%, MP Biomedicals
CAS: 486-66-8 Molecular Formula: C15H10O4 Molecular Weight (g/mol): 254.241 InChI Key: ZQSIJRDFPHDXIC-UHFFFAOYSA-N Synonym: daidzein,4',7-dihydroxyisoflavone,daidzeol,7,4'-dihydroxyisoflavone,7-hydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,diadzein,7-hydroxy-3-4-hydroxyphenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 7-hydroxy-3-4-hydroxyphenyl,7-hydroxy-3-4-hydroxyphenyl chromen-4-one,7-hydroxy-3-4-hydroxyphenyl-4-benzopyrone PubChem CID: 5281708 ChEBI: CHEBI:28197 IUPAC Name: 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O
Pentafluorophenyl 4-(1-methyl-1H-pyrazol-3-yl)benzoate, 97%, Thermo Scientific™
CAS: 915707-42-5 Molecular Formula: C17H9F5N2O2 Molecular Weight (g/mol): 368.26 MDL Number: MFCD09702352 InChI Key: LGHZGIHYFYLEAC-UHFFFAOYSA-N Synonym: pentafluorophenyl 4-1-methyl-1h-pyrazol-3-yl benzoate,2,3,4,5,6-pentafluorophenyl 4-1-methylpyrazol-3-yl benzoate,pentafluorophenyl 4-1-methylpyrazol-3-yl benzoate,perfluorophenyl 4-1-methyl-1h-pyrazol-3-yl benzoate,2,3,4,5,6-pentakis fluoranyl phenyl 4-1-methylpyrazol-3-yl benzoate,4-1-methyl-3-pyrazolyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 24229473 SMILES: CN1C=CC(=N1)C1=CC=C(C=C1)C(=O)OC1=C(F)C(F)=C(F)C(F)=C1F
4-Hydroxyphenyl benzoate, 98%
CAS: 2444-19-1 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00053304 InChI Key: JFAXJRJMFOACBO-UHFFFAOYSA-N Synonym: hydroquinone monobenzoate,p-hydroxyphenyl benzoate,unii-zcy7o225cp,4-benzoyloxyphenol,1,4-diphenol, 1-benzoate,benzoic acid 4-hydroxyphenyl ester,4-hydroxyphenyl benzoate,zcy7o225cp,4-hydroxyphenylbenzoate,4-hydroxyphenylbenzoat PubChem CID: 75549 IUPAC Name: (4-hydroxyphenyl) benzoate SMILES: OC1=CC=C(OC(=O)C2=CC=CC=C2)C=C1
Pentafluorophenyl 3-(1-methyl-1H-pyrazol-3-yl)benzoate, 97%, Thermo Scientific™
CAS: 910037-11-5 Molecular Formula: C17H9F5N2O2 Molecular Weight (g/mol): 368.263 MDL Number: MFCD09065010 InChI Key: LGHVUZDAZTZCHC-UHFFFAOYSA-N Synonym: pentafluorophenyl 3-1-methyl-1h-pyrazol-3-yl benzoate,2,3,4,5,6-pentafluorophenyl 3-1-methylpyrazol-3-yl benzoate,pentafluorophenyl 3-1-methylpyrazol-3-yl benzoate,2,3,4,5,6-pentakis fluoranyl phenyl 3-1-methylpyrazol-3-yl benzoate,3-1-methyl-3-pyrazolyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 24229633 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 3-(1-methylpyrazol-3-yl)benzoate SMILES: CN1C=CC(=N1)C2=CC(=CC=C2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F
Rifabutin, 98%, Thermo Scientific Chemicals
CAS: 72559-06-9 Molecular Formula: C46H62N4O11 Molecular Weight (g/mol): 847.02 MDL Number: MFCD00866816 InChI Key: ATEBXHFBFRCZMA-VXTBVIBXSA-N Synonym: rifabutin,ansamycin,rifabutine,mycobutin,ansatipine,ansatipin,alfacid,rifabutina,rifabutinum,antibiotic lm 427 PubChem CID: 57448257 IUPAC Name: (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23,32-trioxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1⁴,⁷.0⁵,³¹.0²⁶,³⁰]tritriacontane-28,4'-piperidin]-1,3,5(31),9,19,21,25,29-octaen-13-yl acetate SMILES: CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C)C(O)=C4C(=O)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C1NC5(CCN(CC(C)C)CC5)N=C1C4=C3C2=O
4,4'-Diaminostilbene-2,2'-disulfonic acid, 95%
CAS: 81-11-8 Molecular Formula: C14H14N2O6S2 Molecular Weight (g/mol): 370.4 MDL Number: MFCD00024946 InChI Key: REJHVSOVQBJEBF-OWOJBTEDSA-N Synonym: amsonic acid,flavonic acid,tinopal bhs,amsonsaeure,dasd,4,4'-diaminostilbene-2,2'-disulfonic acid,unii-h68088wvjl,2,2'-disulfo-4,4'-stilbenediamine,diaminostilbenedisulfonic acid,4,4'-diaminostilbene-2,2'-disulphonic acid PubChem CID: 5284378 IUPAC Name: 5-amino-2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid SMILES: C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)N)S(=O)(=O)O
p-Methoxycinnamic acid, 98%, predominantly trans
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
3-(Trifluoromethyl)cinnamic acid, predominantly trans, 98+%
CAS: 779-89-5 Molecular Formula: C10H7F3O2 Molecular Weight (g/mol): 216.159 MDL Number: MFCD00004393 InChI Key: KSBWHDDGWSYETA-SNAWJCMRSA-N Synonym: 3-trifluoromethyl cinnamic acid,3-3-trifluoromethyl phenyl acrylic acid,m-trifluoromethyl cinnamic acid,e-3-trifluoromethyl cinnamic acid,unii-p9lj9on37w,2e-3-3-trifluoromethyl phenyl prop-2-enoic acid,e-m-trifluoromethyl cinnamic acid,3-e-trifluoromethyl cinnamic acid PubChem CID: 719451 ChEBI: CHEBI:60704 IUPAC Name: (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid SMILES: C1=CC(=CC(=C1)C(F)(F)F)C=CC(=O)O
3-(1-Naphthyl)acrylic acid, 98%
CAS: 13026-12-5 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00014317,MFCD00014317 InChI Key: WPXMLUUYWNHQOR-CMDGGOBGSA-N Synonym: naphthalene-1-acrylic acid,z-3-1-naphthyl acrylic acid,z-3-naphthalen-1-yl-acrylic acid,z-3-naphthalen-1-yl acrylic acid,2z-3-naphthalen-1-yl prop-2-enoic acid PubChem CID: 12158295 SMILES: OC(=O)\C=C\C1=C2C=CC=CC2=CC=C1
4-Isopropylcinnamic acid, predominantly trans, 98+%
CAS: 3368-21-6 Molecular Formula: C12H14O2 Molecular Weight (g/mol): 190.24 MDL Number: MFCD00016544 InChI Key: SJDOOXOUSJDYFE-VMPITWQZSA-N Synonym: 4-isopropylcinnamic acid,3-4-isopropylphenyl acrylic acid,p-isopropylcinnamic acid,2e-3-4-isopropylphenyl acrylic acid,cinnamic acid, p-isopropyl,2-propenoic acid, 3-4-1-methylethyl phenyl,2e-3-4-propan-2-yl phenyl prop-2-enoic acid,e-3-4-isopropylphenyl acrylic acid,e-3-4-isopropyl-phenyl-acrylic acid,2e-3-4-isopropylphenyl prop-2-enoic acid PubChem CID: 719753 IUPAC Name: (E)-3-(4-propan-2-ylphenyl)prop-2-enoic acid SMILES: CC(C)C1=CC=C(\C=C\C(O)=O)C=C1
3,5-Dimethoxy-4-hydroxycinnamic acid, 98%, predominantly trans isomer
CAS: 530-59-6 Molecular Formula: C11H12O5 Molecular Weight (g/mol): 224.21 InChI Key: PCMORTLOPMLEFB-ONEGZZNKSA-N Synonym: sinapic acid,sinapinic acid,3,5-dimethoxy-4-hydroxycinnamic acid,sinapinate,sinapate,trans-sinapic acid,4-hydroxy-3,5-dimethoxycinnamic acid,synapoic acid,2e-3-4-hydroxy-3,5-dimethoxyphenyl prop-2-enoic acid,unii-p0i60993ec PubChem CID: 637775 ChEBI: CHEBI:15714 IUPAC Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid SMILES: COC1=CC(=CC(=C1O)OC)C=CC(=O)O
trans-2-Methoxycinnamic acid, 98+%
CAS: 1011-54-7 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD00064238 InChI Key: FEGVSPGUHMGGBO-VOTSOKGWSA-N Synonym: 2-methoxycinnamic acid,trans-2-methoxycinnamic acid,3-2-methoxyphenyl acrylic acid,2e-3-2-methoxyphenyl acrylic acid,2e-3-2-methoxyphenyl prop-2-enoic acid,o-methoxycinnamic acid,e-3-2-methoxyphenyl acrylic acid,e-3-2-methoxyphenyl-2-propenoic acid,e-o-methoxycinnamic acid,trans-o-methyl-o-coumaric acid PubChem CID: 734154 IUPAC Name: (E)-3-(2-methoxyphenyl)prop-2-enoic acid SMILES: COC1=CC=CC=C1C=CC(=O)O
3,4-(Methylenedioxy)cinnamic acid, predominantly trans, 99%
CAS: 2373-80-0 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00005837 InChI Key: QFQYZMGOKIROEC-DUXPYHPUSA-N Synonym: 3,4-methylenedioxycinnamic acid,3,4-methylenedioxy cinnamic acid,3-benzo d 1,3 dioxol-5-yl acrylic acid,unii-x8h0wpj08y,3-1,3-benzodioxol-5-yl acrylic acid,2e-3-2h-1,3-benzodioxol-5-yl prop-2-enoic acid,methylenedioxycinnamic acid,x8h0wpj08y,2e-3-1,3-benzodioxol-5-yl acrylic acid,2e-3-1,3-benzodioxol-5-yl-2-propenoic acid PubChem CID: 643181 ChEBI: CHEBI:81482 IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoic acid SMILES: C1OC2=C(O1)C=C(C=C2)C=CC(=O)O
Cinnamamide, 97%, predominantly trans
CAS: 621-79-4 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD00008033 InChI Key: APEJMQOBVMLION-VOTSOKGWSA-N Synonym: cinnamamide,trans-cinnamamide,3-phenylacrylamide,cinnamic amide,2-propenamide, 3-phenyl,3-phenylpropenamide,2-benzylideneacetamide,e-cinnamamide,ginnamic acid amide,trans-cinnamoylamine PubChem CID: 5273472 ChEBI: CHEBI:76320 IUPAC Name: (E)-3-phenylprop-2-enamide SMILES: C1=CC=C(C=C1)C=CC(=O)N