Vitas-M small molecule compound
N-{[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl}benzamide
Catalog ID
STK065874
SMILES CCC(C1CCc2c(C1)sc(c2C#N)NC(=S)NC(=O)c1ccccc1)(C)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 C22H25N3OS2 MW 411.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3OS2/c1-4-22(2,3)15-10-11-16-17(13-23)20(28-18(16)12-15)25-21(27)24-19(26)14-8-6-5-7-9-14/h5-9,15H,4,10-12H2,1-3H3,(H2,24,25,26,27)InChIKey
HMGGAVOWLCZFLZ-UHFFFAOYSA-NSynonyms
CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=CC=C3
CCC(C1CCc2c(C1)sc(c2C#N)NC(=S)NC(=O)c1ccccc1)(C)C
InChI=1SC22H25N3OS2c1422(23)1510111617(1323)20(2818(16)1215)2521(27)2419(26)148657914h5915H41012H213H3(H224252627)
MFCD03064430
N((3cyano6(2methylbutan2yl)4567tetrahydro1benzothiophen2yl)carbamothioyl)benzamide
STK065874
ZINC000005614593
ZINC000005614612
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