Vitas-M small molecule compound
ethyl 2-({[(5E)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STL036122
SMILES CCOC(=O)c1c(NC(=O)CN2C(=S)S/C(=C/c3ccccc3Cl)/C2=O)sc(c1C)C
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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 C21H19ClN2O4S3 MW 495.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN2O4S3/c1-4-28-20(27)17-11(2)12(3)30-18(17)23-16(25)10-24-19(26)15(31-21(24)29)9-13-7-5-6-8-14(13)22/h5-9H,4,10H2,1-3H3,(H,23,25)/b15-9+InChIKey
CQZUYJWBSBWWNV-OQLLNIDSSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2C(=O)C(=CC3=CC=CC=C3Cl)SC2=S
CCOC(=O)c1c(NC(=O)CN2C(=S)SC(=Cc3ccccc3Cl)C2=O)sc(c1C)C
ethyl2((((5E)5(2chlorobenzylidene)4oxo2thioxo13thiazolidin3yl)acetyl)amino)45dimethylthiophene3carboxylate
ethyl2((2((5E)5((2chlorophenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)acetyl)amino)45dimethylthiophene3carboxylate
InChI=1SC21H19ClN2O4S3c142820(27)1711(2)12(3)3018(17)2316(25)102419(26)15(3121(24)29)913756814(13)22h59H410H213H3(H2325)b159+
MFCD18192323
ZINC000062825022
ZINC62825022
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