Vitas-M small molecule compound
ethyl (5Z)-5-(2,4-dichlorobenzylidene)-2-{[(4-methoxyphenyl)carbonyl]amino}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK006995
SMILES CCOC(=O)C1=C(NC(=O)c2ccc(cc2)OC)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 C22H17Cl2NO5S MW 478.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17Cl2NO5S/c1-3-30-22(28)18-19(26)17(10-13-4-7-14(23)11-16(13)24)31-21(18)25-20(27)12-5-8-15(29-2)9-6-12/h4-11H,3H2,1-2H3,(H,25,27)/b17-10-InChIKey
WPKVMDUNLSGROA-YVLHZVERSA-NSynonyms
CCOC(=O)C1=C(NC(=O)c2ccc(cc2)OC)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)OC
ETHYL(5Z)5((24DICHLOROPHENYL)METHYLIDENE)2((4METHOXYBENZOYL)AMINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(24DICHLOROBENZYLIDENE)2(((4METHOXYPHENYL)CARBONYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC22H17Cl2NO5Sc133022(28)1819(26)17(10134714(23)1116(13)24)3121(18)2520(27)125815(292)9612h411H3H212H3(H2527)b1710
MFCD04086812
STK006995
ZINC000008952374
ZINC08952374
ZINC8952374
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