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-{[(4-fluorophenyl)carbonyl]amino}alaninate
Catalog ID
STK764787
SMILES CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C#N)CCC(C2)C)NC(=O)c1ccc(cc1)F
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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 C22H21F4N3O3S MW 483.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21F4N3O3S/c1-3-32-20(31)21(22(24,25)26,28-18(30)13-5-7-14(23)8-6-13)29-19-16(11-27)15-9-4-12(2)10-17(15)33-19/h5-8,12,29H,3-4,9-10H2,1-2H3,(H,28,30)InChIKey
ISHANKAEPZKAAS-UHFFFAOYSA-NSynonyms
CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CC(CC2)C)C#N)NC(=O)C3=CC=C(C=C3)F
ethyl2((3cyano6methyl4567tetrahydro1benzothiophen2yl)amino)333trifluoro2((4fluorobenzoyl)amino)propanoate
ethylN(3cyano6methyl4567tetrahydro1benzothiophen2yl)333trifluoro2(((4fluorophenyl)carbonyl)amino)alaninate
InChI=1SC22H21F4N3O3Sc133220(31)21(22(2425)262818(30)135714(23)8613)291916(1127)159412(2)1017(15)3319h581229H34910H212H3(H2830)
MFCD02933253
ZINC000002191815
ZINC000002191818
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