Vitas-M small molecule compound
2-chloro-5-[(3E)-3-({5-[4-(ethoxycarbonyl)phenyl]furan-2-yl}methylidene)-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl]benzoic acid
Catalog ID
STK193103
SMILES CCOC(=O)c1ccc(cc1)c1ccc(o1)/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 C31H22ClNO6 MW 539.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H22ClNO6/c1-2-38-31(37)21-10-8-20(9-11-21)28-15-13-24(39-28)16-22-17-27(19-6-4-3-5-7-19)33(29(22)34)23-12-14-26(32)25(18-23)30(35)36/h3-18H,2H2,1H3,(H,35,36)/b22-16+InChIKey
JWKWMVFNQOXMPV-CJLVFECKSA-NSynonyms
2CHLORO5((3E)3((5(4(ETHOXYCARBONYL)PHENYL)FURAN2YL)METHYLIDENE)2OXO5PHENYL23DIHYDRO1HPYRROL1YL)BENZOICACID
2CHLORO5((3E)3((5(4ETHOXYCARBONYLPHENYL)FURAN2YL)METHYLIDENE)2OXO5PHENYLPYRROL1YL)BENZOICACID
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C=C(N(C3=O)C4=CC(=C(C=C4)Cl)C(=O)O)C5=CC=CC=C5
CCOC(=O)c1ccc(cc1)c1ccc(o1)C=C1C=C(N(C1=O)c1ccc(c(c1)C(=O)O)Cl)c1ccccc1
InChI=1SC31H22ClNO6c123831(37)2110820(91121)28151324(3928)16221727(196435719)33(29(22)34)23121426(32)25(1823)30(35)36h318H2H21H3(H3536)b2216+
MFCD02379510
ZINC000006599950
ZINC6599950
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