Vitas-M small molecule compound
ethyl (5Z)-5-(2,4-dichlorobenzylidene)-2-{[(4-methylphenyl)carbonyl]amino}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK743049
SMILES CCOC(=O)C1=C(NC(=O)c2ccc(cc2)C)S/C(=C\c2ccc(cc2Cl)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 C22H17Cl2NO4S MW 462.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17Cl2NO4S/c1-3-29-22(28)18-19(26)17(10-14-8-9-15(23)11-16(14)24)30-21(18)25-20(27)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3,(H,25,27)/b17-10-InChIKey
ZCKCWQVIKYTQOR-YVLHZVERSA-NSynonyms
CCOC(=O)C1=C(NC(=O)c2ccc(cc2)C)SC(=Cc2ccc(cc2Cl)Cl)C1=O
CCOC(=O)C1=C(SC(=CC2=C(C=C(C=C2)Cl)Cl)C1=O)NC(=O)C3=CC=C(C=C3)C
ETHYL(5Z)5((24DICHLOROPHENYL)METHYLIDENE)2((4METHYLBENZOYL)AMINO)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(24dichlorobenzylidene)2(((4methylphenyl)carbonyl)amino)4oxo45dihydrothiophene3carboxylate
InChI=1SC22H17Cl2NO4Sc132922(28)1819(26)17(10148915(23)1116(14)24)3021(18)2520(27)136412(2)5713h411H3H212H3(H2527)b1710
MFCD03712080
ZINC000006227917
ZINC06227917
ZINC6227917
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