Vitas-M small molecule compound
ethyl 2-({[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STL036203
SMILES CCOC(=O)c1c(NC(=O)CN2C(=S)S/C(=C\c3ccc(cc3)F)/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 C21H19FN2O4S3 MW 478.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19FN2O4S3/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)9-13-5-7-14(22)8-6-13/h5-9H,4,10H2,1-3H3,(H,23,25)/b15-9-InChIKey
LIYBBWNUROIYNY-DHDCSXOGSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2C(=O)C(=CC3=CC=C(C=C3)F)SC2=S
CCOC(=O)c1c(NC(=O)CN2C(=S)SC(=Cc3ccc(cc3)F)C2=O)sc(c1C)C
ethyl2((((5Z)5(4fluorobenzylidene)4oxo2thioxo13thiazolidin3yl)acetyl)amino)45dimethylthiophene3carboxylate
ethyl2((2((5Z)5((4fluorophenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)acetyl)amino)45dimethylthiophene3carboxylate
ETHYL2(2(5((4FLUOROPHENYL)METHYLENE)4OXO2THIOXO(13THIAZOLIDIN3YL))ACETYLAMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC21H19FN2O4S3c142820(27)1711(2)12(3)3018(17)2316(25)102419(26)15(3121(24)29)9135714(22)8613h59H410H213H3(H2325)b159
MFCD18192366
ZINC000054360669
ZINC54360669
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