Vitas-M small molecule compound
3-{3-hydroxy-5-(4-methoxyphenyl)-2-oxo-4-[(2E)-3-phenylprop-2-enoyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid
Catalog ID
STK997188
SMILES COc1ccc(cc1)C1N(c2cccc(c2)C(=O)O)C(=O)C(=C1C(=O)/C=C/c1ccccc1)O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H21NO6 MW 455.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21NO6/c1-34-21-13-11-18(12-14-21)24-23(22(29)15-10-17-6-3-2-4-7-17)25(30)26(31)28(24)20-9-5-8-19(16-20)27(32)33/h2-16,24,30H,1H3,(H,32,33)/b15-10+InChIKey
HRRMYORVCJXNRE-XNTDXEJSSA-NSynonyms
332125-68-5(E)3(3cinnamoyl4hydroxy2(4methoxyphenyl)5oxo25dihydro1Hpyrrol1yl)benzoicacid
3(3hydroxy5(4methoxyphenyl)2oxo4((2E)3phenylprop2enoyl)25dihydro1Hpyrrol1yl)benzoicacid
3(4HYDROXY2(4METHOXYPHENYL)5OXO3((E)3PHENYLPROP2ENOYL)2HPYRROL1YL)BENZOICACID
332125685
COC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=CC=CC(=C3)C(=O)O)O)C(=O)C=CC4=CC=CC=C4
COc1ccc(cc1)C1N(c2cccc(c2)C(=O)O)C(=O)C(=C1C(=O)C=Cc1ccccc1)O
InChI=1SC27H21NO6c13421131118(121421)2423(22(29)1510176324717)25(30)26(31)28(24)2095819(1620)27(32)33h2162430H1H3(H3233)b1510+
MFCD02044193
ZINC000020065647
ZINC000020065649
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