Vitas-M small molecule compound
2-({3-[(5Z)-5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STL035279
SMILES O=C(Nc1sc2c(c1C(=O)N)CCCC2)CCN1C(=S)S/C(=C\c2ccccc2)/C1=O
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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 C22H21N3O3S3 MW 471.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O3S3/c23-19(27)18-14-8-4-5-9-15(14)30-20(18)24-17(26)10-11-25-21(28)16(31-22(25)29)12-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2,(H2,23,27)(H,24,26)/b16-12-InChIKey
JYBJANMWEQIUNJ-VBKFSLOCSA-NSynonyms
2((3((5Z)5benzylidene4oxo2thioxo13thiazolidin3yl)propanoyl)amino)4567tetrahydro1benzothiophene3carboxamide
2(3((5Z)5benzylidene4oxo2sulfanylidene13thiazolidin3yl)propanoylamino)4567tetrahydro1benzothiophene3carboxamide
C1CCC2=C(C1)C(=C(S2)NC(=O)CCN3C(=O)C(=CC4=CC=CC=C4)SC3=S)C(=O)N
InChI=1SC22H21N3O3S3c2319(27)1814845915(14)3020(18)2417(26)10112521(28)16(3122(25)29)12136213713h136712H45811H2(H22327)(H2426)b1612
MFCD01910842
O=C(Nc1sc2c(c1C(=O)N)CCCC2)CCN1C(=S)SC(=Cc2ccccc2)C1=O
ZINC000001787943
ZINC01787943
ZINC1787943
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