Vitas-M small molecule compound
4-{(1E)-3-[(3-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}phenyl benzoate
Catalog ID
STK949805
SMILES N#C/C(=C\c1ccc(cc1)OC(=O)c1ccccc1)/C(=O)Nc1cccc(c1)Cl
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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 C23H15ClN2O3 MW 402.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15ClN2O3/c24-19-7-4-8-20(14-19)26-22(27)18(15-25)13-16-9-11-21(12-10-16)29-23(28)17-5-2-1-3-6-17/h1-14H,(H,26,27)/b18-13+InChIKey
GUBLVAZHEBSFAR-QGOAFFKASA-NSynonyms
(4((E)3(3chloroanilino)2cyano3oxoprop1enyl)phenyl)benzoate
4((1E)2(N(3CHLOROPHENYL)CARBAMOYL)2CYANOVINYL)PHENYLBENZOATE
4((1E)3((3chlorophenyl)amino)2cyano3oxoprop1en1yl)phenylbenzoate
C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC(=CC=C3)Cl
InChI=1SC23H15ClN2O3c241974820(1419)2622(27)18(1525)131691121(121016)2923(28)175213617h114H(H2627)b1813+
MFCD02364614
N#CC(=Cc1ccc(cc1)OC(=O)c1ccccc1)C(=O)Nc1cccc(c1)Cl
ZINC000000948727
ZINC00948727
ZINC948727
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