Vitas-M small molecule compound
methyl 2-{[(4-chlorophenyl)carbonyl]amino}-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
Catalog ID
STK765577
SMILES COC(=O)C(C(F)(F)F)(Nc1sc2c(c1C#N)CCC(C2)C)NC(=O)c1ccc(cc1)Cl
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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 C21H19ClF3N3O3S MW 485.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClF3N3O3S/c1-11-3-8-14-15(10-26)18(32-16(14)9-11)28-20(19(30)31-2,21(23,24)25)27-17(29)12-4-6-13(22)7-5-12/h4-7,11,28H,3,8-9H2,1-2H3,(H,27,29)InChIKey
XTBRSNHZJIOJLS-UHFFFAOYSA-NSynonyms
CC1CCC2=C(C1)SC(=C2C#N)NC(C(=O)OC)(C(F)(F)F)NC(=O)C3=CC=C(C=C3)Cl
InChI=1SC21H19ClF3N3O3Sc111381415(1026)18(3216(14)911)2820(19(30)31221(2324)25)2717(29)124613(22)7512h471128H389H212H3(H2729)
methyl2(((4chlorophenyl)carbonyl)amino)N(3cyano6methyl4567tetrahydro1benzothiophen2yl)333trifluoroalaninate
methyl2((4chlorobenzoyl)amino)2((3cyano6methyl4567tetrahydro1benzothiophen2yl)amino)333trifluoropropanoate
MFCD02933829
ZINC000008854920
ZINC000012417849
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