Vitas-M small molecule compound
methyl N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-{[(4-methylphenyl)carbonyl]amino}alaninate
Catalog ID
STK765670
SMILES COC(=O)C(C(F)(F)F)(Nc1sc2c(c1C#N)CCC(C2)C)NC(=O)c1ccc(cc1)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 C22H22F3N3O3S MW 465.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22F3N3O3S/c1-12-4-7-14(8-5-12)18(29)27-21(20(30)31-3,22(23,24)25)28-19-16(11-26)15-9-6-13(2)10-17(15)32-19/h4-5,7-8,13,28H,6,9-10H2,1-3H3,(H,27,29)InChIKey
STQGFSPCMJOTOH-UHFFFAOYSA-NSynonyms
CC1CCC2=C(C1)SC(=C2C#N)NC(C(=O)OC)(C(F)(F)F)NC(=O)C3=CC=C(C=C3)C
InChI=1SC22H22F3N3O3Sc1124714(8512)18(29)2721(20(30)31322(2324)25)281916(1126)159613(2)1017(15)3219h45781328H6910H213H3(H2729)
methyl2((3cyano6methyl4567tetrahydro1benzothiophen2yl)amino)333trifluoro2((4methylbenzoyl)amino)propanoate
methylN(3cyano6methyl4567tetrahydro1benzothiophen2yl)333trifluoro2(((4methylphenyl)carbonyl)amino)alaninate
MFCD02933990
ZINC000002191767
ZINC000002191770
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