Vitas-M small molecule compound
2-{[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
Catalog ID
STL417597
SMILES CCC(C1CCc2c(C1)sc(c2C#N)NC(=O)CSc1nnc([nH]1)c1ccc(cc1)Cl)(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 C24H26ClN5OS2 MW 500.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26ClN5OS2/c1-4-24(2,3)15-7-10-17-18(12-26)22(33-19(17)11-15)27-20(31)13-32-23-28-21(29-30-23)14-5-8-16(25)9-6-14/h5-6,8-9,15H,4,7,10-11,13H2,1-3H3,(H,27,31)(H,28,29,30)InChIKey
IIGFXHVVOLPJCY-UHFFFAOYSA-NSynonyms
2((5(4chlorophenyl)1H124triazol3yl)sulfanyl)N(3cyano6(2methylbutan2yl)4567tetrahydro1benzothiophen2yl)acetamide
2((5(4chlorophenyl)4H124triazol3yl)sulfanyl)N(3cyano6(2methylbutan2yl)4567tetrahydro1benzothiophen2yl)acetamide
CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NNC(=N3)C4=CC=C(C=C4)Cl
CCC(C1CCc2c(C1)sc(c2C#N)NC(=O)CSc1nnc((nH)1)c1ccc(cc1)Cl)(C)C
InChI=1SC24H26ClN5OS2c1424(23)157101718(1226)22(3319(17)1115)2720(31)1332232821(293023)145816(25)9614h568915H47101113H213H3(H2731)(H282930)
MFCD30707161
ZINC000220970181
ZINC000220970238
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