Vitas-M small molecule compound
ethyl N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-[(phenylcarbonyl)amino]alaninate
Catalog ID
STK764933
SMILES CCOC(=O)C(C(F)(F)F)(NC(=O)c1ccccc1)Nc1sc2c(c1C#N)CCC(C2)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/c1-3-31-20(30)21(22(23,24)25,27-18(29)14-7-5-4-6-8-14)28-19-16(12-26)15-10-9-13(2)11-17(15)32-19/h4-8,13,28H,3,9-11H2,1-2H3,(H,27,29)InChIKey
NKJPROVRYKGCCC-UHFFFAOYSA-NSynonyms
CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CC(CC2)C)C#N)NC(=O)C3=CC=CC=C3
ethyl2benzamido2((3cyano6methyl4567tetrahydro1benzothiophen2yl)amino)333trifluoropropanoate
ethylN(3cyano6methyl4567tetrahydro1benzothiophen2yl)333trifluoro2((phenylcarbonyl)amino)alaninate
InChI=1SC22H22F3N3O3Sc133120(30)21(22(2324)252718(29)147546814)281916(1226)1510913(2)1117(15)3219h481328H3911H212H3(H2729)
MFCD02933367
ZINC000002191734
ZINC000002191737
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