Vitas-M small molecule compound
ethyl 2-{[(3-chlorophenyl)carbonyl]amino}-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
Catalog ID
STK765576
SMILES CCOC(=O)C(C(F)(F)F)(NC(=O)c1cccc(c1)Cl)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 C22H21ClF3N3O3S MW 499.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClF3N3O3S/c1-3-32-20(31)21(22(24,25)26,28-18(30)13-5-4-6-14(23)10-13)29-19-16(11-27)15-8-7-12(2)9-17(15)33-19/h4-6,10,12,29H,3,7-9H2,1-2H3,(H,28,30)InChIKey
YJLLITBNUKTPLM-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)Cl
ethyl2(((3chlorophenyl)carbonyl)amino)N(3cyano6methyl4567tetrahydro1benzothiophen2yl)333trifluoroalaninate
ethyl2((3chlorobenzoyl)amino)2((3cyano6methyl4567tetrahydro1benzothiophen2yl)amino)333trifluoropropanoate
InChI=1SC22H21ClF3N3O3Sc133220(31)21(22(2425)262818(30)1354614(23)1013)291916(1127)158712(2)917(15)3319h46101229H379H212H3(H2830)
MFCD02933828
ZINC000002191760
ZINC000002191763
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