Vitas-M small molecule compound
5-[(3Z)-3-(3-bromo-4-methoxybenzylidene)-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl]-2-chlorobenzoic acid
Catalog ID
STK195953
SMILES COc1ccc(cc1Br)/C=C\1/C=C(N(C1=O)c1ccc(c(c1)C(=O)O)Cl)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 C25H17BrClNO4 MW 510.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17BrClNO4/c1-32-23-10-7-15(12-20(23)26)11-17-13-22(16-5-3-2-4-6-16)28(24(17)29)18-8-9-21(27)19(14-18)25(30)31/h2-14H,1H3,(H,30,31)/b17-11-InChIKey
SGTOBEYKWSSHAZ-BOPFTXTBSA-NSynonyms
5((3Z)3((3bromo4methoxyphenyl)methylidene)2oxo5phenylpyrrol1yl)2chlorobenzoicacid
5((3Z)3(3BROMO4METHOXYBENZYLIDENE)2OXO5PHENYL23DIHYDRO1HPYRROL1YL)2CHLOROBENZOICACID
COC1=C(C=C(C=C1)C=C2C=C(N(C2=O)C3=CC(=C(C=C3)Cl)C(=O)O)C4=CC=CC=C4)Br
COc1ccc(cc1Br)C=C1C=C(N(C1=O)c1ccc(c(c1)C(=O)O)Cl)c1ccccc1
InChI=1SC25H17BrClNO4c1322310715(1220(23)26)11171322(165324616)28(24(17)29)188921(27)19(1418)25(30)31h214H1H3(H3031)b1711
MFCD04514481
ZINC000012363470
ZINC12363470
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