Phenylpropanoids and polyketides
Anisoin, 97%
CAS: 119-52-8 Molecular Formula: C16H16O4 Molecular Weight (g/mol): 272.30 MDL Number: MFCD00008411 InChI Key: LRRQSCPPOIUNGX-UHFFFAOYNA-N Synonym: anisoin,2-hydroxy-1,2-bis 4-methoxyphenyl ethanone,4,4'-dimethoxybenzoin,p-anisoin,ethanone, 2-hydroxy-1,2-bis 4-methoxyphenyl,benzoin, 4,4'-dimethoxy,p,p'-dimethoxybenzoin,benzoin,4'-dimethoxy,4,4'-anisoin,1,2-bis 4-methoxyphenyl-2-hydroxyethan-1-one PubChem CID: 95415 IUPAC Name: 2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone SMILES: COC1=CC=C(C=C1)C(O)C(=O)C1=CC=C(OC)C=C1
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
trans-2-Hydroxycinnamic acid, 98+%
CAS: 614-60-8 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00004379 InChI Key: PMOWTIHVNWZYFI-AATRIKPKSA-N Synonym: 2-hydroxycinnamic acid,o-coumaric acid,trans-2-hydroxycinnamic acid,2-coumaric acid,trans-o-hydroxycinnamic acid,trans-o-coumaric acid,2-coumarate,e-o-hydroxycinnamic acid,2-hydroxycinnamate,o-hydroxy-trans-cinnamic acid PubChem CID: 637540 ChEBI: CHEBI:18125 IUPAC Name: (E)-3-(2-hydroxyphenyl)prop-2-enoic acid SMILES: OC(=O)\C=C\C1=CC=CC=C1O
p-Hydroxycinnamic acid, 98%, predominantly trans
CAS: 501-98-4 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00004399 InChI Key: NGSWKAQJJWESNS-ZZXKWVIFSA-N Synonym: p-coumaric acid,4-hydroxycinnamic acid,p-hydroxycinnamic acid,4-coumaric acid,trans-4-hydroxycinnamic acid,trans-p-coumaric acid,p-cumaric acid,3-4-hydroxyphenyl acrylic acid,para-coumaric acid,hydroxycinnamic acid PubChem CID: 637542 ChEBI: CHEBI:32374 IUPAC Name: (E)-3-(4-hydroxyphenyl)prop-2-enoic acid SMILES: C1=CC(=CC=C1C=CC(=O)O)O
4-Methylcinnamic acid, predominantly trans, 99%
CAS: 1866-39-3 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.188 MDL Number: MFCD00002697 InChI Key: RURHILYUWQEGOS-VOTSOKGWSA-N Synonym: 4-methylcinnamic acid,3-p-tolyl acrylic acid,e-3-p-tolyl acrylic acid,p-methylcinnamic acid,p-methyl cinnamic acid,2e-3-4-methylphenyl acrylic acid,2e-3-4-methylphenyl prop-2-enoic acid,4-methyl-cinnamic acid,e-3-4-methylphenyl-2-propenoic acid,3-4-methylphenyl-2-propenoic acid PubChem CID: 731767 IUPAC Name: (E)-3-(4-methylphenyl)prop-2-enoic acid SMILES: CC1=CC=C(C=C1)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
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-Methylcinnamic acid, 98%, Thermo Scientific™
CAS: 3029-79-6 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00016844 InChI Key: JZINNAKNHHQBOS-AATRIKPKSA-N Synonym: 3-methylcinnamic acid,m-methylcinnamic acid,e-3-m-tolyl acrylic acid,3-m-tolyl acrylic acid,2e-3-3-methylphenyl acrylic acid,2e-3-3-methylphenyl prop-2-enoic acid,cinnamic acid, m-methyl,3-methylcinnamic acid, predominantly trans,2e-3-3-methylphenyl-2-propenoic acid,2-propenoic acid, 3-3-methylphenyl-, 2e PubChem CID: 2063448 ChEBI: CHEBI:61118 IUPAC Name: (E)-3-(3-methylphenyl)prop-2-enoic acid SMILES: CC1=CC=CC(=C1)C=CC(=O)O
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
4-Acetoxy-3-methoxycinnamic acid, 98+%
CAS: 2596-47-6 Molecular Formula: C12H12O5 Molecular Weight (g/mol): 236.223 MDL Number: MFCD00014378 InChI Key: IHKNVZISLLDMOR-GQCTYLIASA-N Synonym: acetylferulic acid,4-acetoxy-3-methoxycinnamic acid,3-methoxy-4-acetoxycinnamic acid,3-4-acetoxy-3-methoxyphenyl acrylic acid,cinnamic acid, 4-acetoxy-3-methoxy,acetylated ferulic acid,cinnamic acid, 4-hydroxy-3-methoxy-, acetate,2-propenoic acid, 3-4-acetyloxy-3-methoxyphenyl,2e-3-4-acetyloxy-3-methoxyphenyl prop-2-enoic acid PubChem CID: 5354677 ChEBI: CHEBI:86582 IUPAC Name: (E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoic acid SMILES: CC(=O)OC1=C(C=C(C=C1)C=CC(=O)O)OC
trans-4-Nitrocinnamic acid, 98+%
CAS: 882-06-4 Molecular Formula: C9H7NO4 Molecular Weight (g/mol): 193.158 MDL Number: MFCD00007381 InChI Key: XMMRNCHTDONGRJ-ZZXKWVIFSA-N Synonym: 4-nitrocinnamic acid,3-4-nitrophenyl acrylic acid,p-nitrocinnamic acid,cinnamic acid, p-nitro,2-propenoic acid, 3-4-nitrophenyl,e-3-4-nitrophenyl acrylic acid,3-4-nitrophenyl propenoic acid,trans-4-nitrocinnamic acid,ccris 1665,2e-3-4-nitrophenyl prop-2-enoic acid PubChem CID: 737157 SMILES: C1=CC(=CC=C1C=CC(=O)O)[N+](=O)[O-]
alpha-Methylcinnamic acid, 99%
CAS: 1199-77-5 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00002652 InChI Key: XNCRUNXWPDJHGV-BQYQJAHWSA-N Synonym: alpha-methylcinnamic acid,2-methyl-3-phenylacrylic acid,2e-2-methyl-3-phenylprop-2-enoic acid,a-methylcinnamic acid,2e-2-methyl-3-phenylacrylic acid,.alpha.-methylcinnamic acid,e-2-methyl-3-phenylacrylic acid,2-propenoic acid, 2-methyl-3-phenyl,alpha-methyl cinnamic acid,e-2-methyl-3-phenylprop-2-enoic acid PubChem CID: 637817 IUPAC Name: (E)-2-methyl-3-phenylprop-2-enoic acid SMILES: C\C(=C/C1=CC=CC=C1)C(O)=O