Vitas-M small molecule compound
ethyl (5Z)-2-{[(2-chlorophenyl)carbonyl]amino}-5-[3-chloro-4-(prop-2-yn-1-yloxy)benzylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL416071
SMILES CCOC(=O)C1=C(S/C(=C\c2ccc(c(c2)Cl)OCC#C)/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 C24H17Cl2NO5S MW 502.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17Cl2NO5S/c1-3-11-32-18-10-9-14(12-17(18)26)13-19-21(28)20(24(30)31-4-2)23(33-19)27-22(29)15-7-5-6-8-16(15)25/h1,5-10,12-13H,4,11H2,2H3,(H,27,29)/b19-13-InChIKey
YXCBWOXKRYJCDY-UYRXBGFRSA-NSynonyms
CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)OCC#C)Cl)C1=O)NC(=O)C3=CC=CC=C3Cl
CCOC(=O)C1=C(SC(=Cc2ccc(c(c2)Cl)OCC#C)C1=O)NC(=O)c1ccccc1Cl
ethyl(5Z)2(((2chlorophenyl)carbonyl)amino)5(3chloro4(prop2yn1yloxy)benzylidene)4oxo45dihydrothiophene3carboxylate
ETHYL(5Z)2((2CHLOROBENZOYL)AMINO)5((3CHLORO4PROP2YNOXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ETHYL2((2CHLOROBENZOYL)AMINO)5(3CHLORO4(2PROPYNYLOXY)BENZYLIDENE)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC24H17Cl2NO5Sc1311321810914(1217(18)26)131921(28)20(24(30)3142)23(3319)2722(29)15756816(15)25h15101213H411H22H3(H2729)b1913
MFCD03783989
ZINC000008396252
ZINC08396252
ZINC8396252
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