Vitas-M small molecule compound
3-[(3E)-3-(3-bromo-4-methoxybenzylidene)-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl]benzoic acid
Catalog ID
STK193020
SMILES COc1ccc(cc1Br)/C=C/1\C=C(N(C1=O)c1cccc(c1)C(=O)O)c1ccccc1
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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 C25H18BrNO4 MW 476.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18BrNO4/c1-31-23-11-10-16(13-21(23)26)12-19-15-22(17-6-3-2-4-7-17)27(24(19)28)20-9-5-8-18(14-20)25(29)30/h2-15H,1H3,(H,29,30)/b19-12+InChIKey
LJFHZSVFOKSIOP-XDHOZWIPSA-NSynonyms
(E)3(3(3bromo4methoxybenzylidene)2oxo5phenyl23dihydro1Hpyrrol1yl)benzoicacid
3((3E)3((3BROMO4METHOXYPHENYL)METHYLIDENE)2OXO5PHENYLPYRROL1YL)BENZOICACID
3((3E)3(3BROMO4METHOXYBENZYLIDENE)2OXO5PHENYL23DIHYDRO1HPYRROL1YL)BENZOICACID
COC1=C(C=C(C=C1)C=C2C=C(N(C2=O)C3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4)Br
COc1ccc(cc1Br)C=C1C=C(N(C1=O)c1cccc(c1)C(=O)O)c1ccccc1
InChI=1SC25H18BrNO4c13123111016(1321(23)26)12191522(176324717)27(24(19)28)2095818(1420)25(29)30h215H1H3(H2930)b1912+
MFCD01534984
ZINC000009311241
ZINC9311241
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