Vitas-M small molecule compound
2-({3-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK993974
SMILES Fc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCC(=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 C22H20FN3O3S3 MW 489.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20FN3O3S3/c23-13-7-5-12(6-8-13)11-16-21(29)26(22(30)32-16)10-9-17(27)25-20-18(19(24)28)14-3-1-2-4-15(14)31-20/h5-8,11H,1-4,9-10H2,(H2,24,28)(H,25,27)/b16-11-InChIKey
HEHWVWYDFNSLEB-WJDWOHSUSA-NSynonyms
2((3((5Z)5(4fluorobenzylidene)4oxo2thioxo13thiazolidin3yl)propanoyl)amino)4567tetrahydro1benzothiophene3carboxamide
2(3((5Z)5((4fluorophenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)propanoylamino)4567tetrahydro1benzothiophene3carboxamide
C1CCC2=C(C1)C(=C(S2)NC(=O)CCN3C(=O)C(=CC4=CC=C(C=C4)F)SC3=S)C(=O)N
Fc1ccc(cc1)C=C1SC(=S)N(C1=O)CCC(=O)Nc1sc2c(c1C(=O)N)CCCC2
InChI=1SC22H20FN3O3S3c23137512(6813)111621(29)26(22(30)3216)10917(27)252018(19(24)28)14312415(14)3120h5811H14910H2(H22428)(H2527)b1611
MFCD01164475
ZINC000002915749
ZINC02915749
ZINC2915749
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