Vitas-M small molecule compound
methyl 3-[(3E)-3-{[5-(3,4-dichlorophenyl)furan-2-yl]methylidene}-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl]benzoate
Catalog ID
STK193096
SMILES COC(=O)c1cccc(c1)N1C(=O)/C(=C/c2ccc(o2)c2ccc(c(c2)Cl)Cl)/C=C1c1ccccc1
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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 C29H19Cl2NO4 MW 516.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H19Cl2NO4/c1-35-29(34)20-8-5-9-22(14-20)32-26(18-6-3-2-4-7-18)17-21(28(32)33)15-23-11-13-27(36-23)19-10-12-24(30)25(31)16-19/h2-17H,1H3/b21-15+InChIKey
JJTJUDVTDIGEIK-RCCKNPSSSA-NSynonyms
COC(=O)C1=CC(=CC=C1)N2C(=CC(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)Cl)C2=O)C5=CC=CC=C5
COC(=O)c1cccc(c1)N1C(=O)C(=Cc2ccc(o2)c2ccc(c(c2)Cl)Cl)C=C1c1ccccc1
InChI=1SC29H19Cl2NO4c13529(34)2085922(1420)3226(186324718)1721(28(32)33)1523111327(3623)19101224(30)25(31)1619h217H1H3b2115+
METHYL3((3E)3((5(34DICHLOROPHENYL)FURAN2YL)METHYLIDENE)2OXO5PHENYL23DIHYDRO1HPYRROL1YL)BENZOATE
methyl3((3E)3((5(34dichlorophenyl)furan2yl)methylidene)2oxo5phenylpyrrol1yl)benzoate
MFCD01534815
ZINC000009311303
ZINC09311303
ZINC9311303
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