Vitas-M small molecule compound
2-({[(5E)-5-(4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK926367
SMILES COc1ccc(cc1)/C=C\1/SC(=S)N(C1=O)CC(=O)Nc1sc2c(c1C(=O)N)CCCC2
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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 C22H21N3O4S3 MW 487.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O4S3/c1-29-13-8-6-12(7-9-13)10-16-21(28)25(22(30)32-16)11-17(26)24-20-18(19(23)27)14-4-2-3-5-15(14)31-20/h6-10H,2-5,11H2,1H3,(H2,23,27)(H,24,26)/b16-10+InChIKey
DBEKAMDUGQSPBL-MHWRWJLKSA-NSynonyms
2((((5E)5(4methoxybenzylidene)4oxo2thioxo13thiazolidin3yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxamide
2((2((5E)5((4methoxyphenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxamide
COC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N
COc1ccc(cc1)C=C1SC(=S)N(C1=O)CC(=O)Nc1sc2c(c1C(=O)N)CCCC2
InChI=1SC22H21N3O4S3c129138612(7913)101621(28)25(22(30)3216)1117(26)242018(19(23)27)14423515(14)3120h610H2511H21H3(H22327)(H2426)b1610+
MFCD01463024
ZINC000001787938
ZINC01787938
ZINC1787938
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