Vitas-M small molecule compound
(2E)-3-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STK537894
SMILES N#C/C(=C\Nc1ccc(cc1C(=O)c1ccccc1)Cl)/c1scc(n1)c1ccc(c(c1)C)C
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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 C27H20ClN3OS MW 469.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20ClN3OS/c1-17-8-9-20(12-18(17)2)25-16-33-27(31-25)21(14-29)15-30-24-11-10-22(28)13-23(24)26(32)19-6-4-3-5-7-19/h3-13,15-16,30H,1-2H3/b21-15+InChIKey
KDEABLYCVUNMPY-RCCKNPSSSA-NSynonyms
(2E)3((4chloro2(phenylcarbonyl)phenyl)amino)2(4(34dimethylphenyl)13thiazol2yl)prop2enenitrile
(E)3((2benzoyl4chlorophenyl)amino)2(4(34dimethylphenyl)thiazol2yl)acrylonitrile
(E)3(2BENZOYL4CHLOROANILINO)2(4(34DIMETHYLPHENYL)13THIAZOL2YL)PROP2ENENITRILE
CC1=C(C=C(C=C1)C2=CSC(=N2)C(=CNC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4)C#N)C
InChI=1SC27H20ClN3OSc1178920(1218(17)2)25163327(3125)21(1429)153024111022(28)1323(24)26(32)196435719h313151630H12H3b2115+
MFCD02984447
N#CC(=CNc1ccc(cc1C(=O)c1ccccc1)Cl)c1scc(n1)c1ccc(c(c1)C)C
ZINC000001773522
ZINC01773522
ZINC1773522
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