Vitas-M small molecule compound
ethyl 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
STK677607
SMILES CCOC(=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 C25H27ClF3N3O3S MW 542.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27ClF3N3O3S/c1-5-35-22(34)24(25(27,28)29,31-20(33)14-7-6-8-16(26)11-14)32-21-18(13-30)17-10-9-15(23(2,3)4)12-19(17)36-21/h6-8,11,15,32H,5,9-10,12H2,1-4H3,(H,31,33)InChIKey
YCQSUDSCCJQALK-UHFFFAOYSA-NSynonyms
CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C#N)NC(=O)C3=CC(=CC=C3)Cl
ethyl2((6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)amino)2((3chlorobenzoyl)amino)333trifluoropropanoate
ethylN(6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)2(((3chlorophenyl)carbonyl)amino)333trifluoroalaninate
InChI=1SC25H27ClF3N3O3Sc153522(34)24(25(2728)293120(33)1476816(26)1114)322118(1330)1710915(23(23)4)1219(17)3621h68111532H591012H214H3(H3133)
MFCD02933826
ZINC000002191752
ZINC000002191755
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