Vitas-M small molecule compound
ethyl (5Z)-5-(4-chlorobenzylidene)-2-[(4-methylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK043595
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)C)S/C(=C\c2ccc(cc2)Cl)/C1=O
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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 C21H18ClNO3S MW 399.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClNO3S/c1-3-26-21(25)18-19(24)17(12-14-6-8-15(22)9-7-14)27-20(18)23-16-10-4-13(2)5-11-16/h4-12,23H,3H2,1-2H3/b17-12-InChIKey
PWBDRLISQDMXQZ-ATVHPVEESA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)C)SC(=Cc2ccc(cc2)Cl)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=C(C=C2)Cl)C1=O)NC3=CC=C(C=C3)C
ETHYL(5Z)5((4CHLOROPHENYL)METHYLIDENE)2(4METHYLANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(4CHLOROBENZYLIDENE)2((4METHYLPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC21H18ClNO3Sc132621(25)1819(24)17(12146815(22)9714)2720(18)231610413(2)51116h41223H3H212H3b1712
MFCD02214963
STK043595
ZINC000004608599
ZINC04608599
ZINC4608599
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