Vitas-M small molecule compound
ethyl (5Z)-2-{[(2-chlorophenyl)carbonyl]amino}-5-[4-(methylsulfanyl)benzylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL417261
SMILES CCOC(=O)C1=C(S/C(=C\c2ccc(cc2)SC)/C1=O)NC(=O)c1ccccc1Cl
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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 C22H18ClNO4S2 MW 459.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClNO4S2/c1-3-28-22(27)18-19(25)17(12-13-8-10-14(29-2)11-9-13)30-21(18)24-20(26)15-6-4-5-7-16(15)23/h4-12H,3H2,1-2H3,(H,24,26)/b17-12-InChIKey
CJXIYXNXKMHJSQ-ATVHPVEESA-NSynonyms
CCOC(=O)C1=C(SC(=CC2=CC=C(C=C2)SC)C1=O)NC(=O)C3=CC=CC=C3Cl
CCOC(=O)C1=C(SC(=Cc2ccc(cc2)SC)C1=O)NC(=O)c1ccccc1Cl
ethyl(5Z)2(((2chlorophenyl)carbonyl)amino)5(4(methylsulfanyl)benzylidene)4oxo45dihydrothiophene3carboxylate
ETHYL(5Z)2((2CHLOROBENZOYL)AMINO)5((4METHYLSULFANYLPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC22H18ClNO4S2c132822(27)1819(25)17(121381014(292)11913)3021(18)2420(26)15645716(15)23h412H3H212H3(H2426)b1712
MFCD03783977
ZINC000008396228
ZINC08396228
ZINC8396228
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