Vitas-M small molecule compound
methyl N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[(3-chlorophenyl)carbonyl]amino}-3,3,3-trifluoroalaninate
Catalog ID
STK677792
SMILES COC(=O)C(C(F)(F)F)(NC(=O)c1cccc(c1)Cl)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 C24H25ClF3N3O3S MW 527.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25ClF3N3O3S/c1-22(2,3)14-8-9-16-17(12-29)20(35-18(16)11-14)31-23(21(33)34-4,24(26,27)28)30-19(32)13-6-5-7-15(25)10-13/h5-7,10,14,31H,8-9,11H2,1-4H3,(H,30,32)InChIKey
ZTSPAGWGZUEXNR-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)Cl
InChI=1SC24H25ClF3N3O3Sc122(23)14891617(1229)20(3518(16)1114)3123(21(33)34424(2627)28)3019(32)1365715(25)1013h57101431H8911H214H3(H3032)
methyl2((6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)amino)2((3chlorobenzoyl)amino)333trifluoropropanoate
methylN(6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)2(((3chlorophenyl)carbonyl)amino)333trifluoroalaninate
MFCD02934780
ZINC000002191854
ZINC000002191857
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