Vitas-M small molecule compound
methyl N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-[(phenylcarbonyl)amino]alaninate
Catalog ID
STK765673
SMILES COC(=O)C(C(F)(F)F)(NC(=O)c1ccccc1)Nc1sc2c(c1C#N)CCC(C2)C(C)(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 C24H26F3N3O3S MW 493.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26F3N3O3S/c1-22(2,3)15-10-11-16-17(13-28)20(34-18(16)12-15)30-23(21(32)33-4,24(25,26)27)29-19(31)14-8-6-5-7-9-14/h5-9,15,30H,10-12H2,1-4H3,(H,29,31)InChIKey
OZAOSKACZKBUBJ-UHFFFAOYSA-NSynonyms
CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(C(=O)OC)(C(F)(F)F)NC(=O)C3=CC=CC=C3
InChI=1SC24H26F3N3O3Sc122(23)1510111617(1328)20(3418(16)1215)3023(21(32)33424(2526)27)2919(31)148657914h591530H1012H214H3(H2931)
methyl2benzamido2((6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)amino)333trifluoropropanoate
methylN(6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)333trifluoro2((phenylcarbonyl)amino)alaninate
MFCD02933993
ZINC000002191779
ZINC000002191782
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