Vitas-M small molecule compound
ethyl N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-{[(2-fluorophenyl)carbonyl]amino}alaninate
Catalog ID
STK764785
SMILES CCOC(=O)C(C(F)(F)F)(NC(=O)c1ccccc1F)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 C25H27F4N3O3S MW 525.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27F4N3O3S/c1-5-35-22(34)24(25(27,28)29,31-20(33)16-8-6-7-9-18(16)26)32-21-17(13-30)15-11-10-14(23(2,3)4)12-19(15)36-21/h6-9,14,32H,5,10-12H2,1-4H3,(H,31,33)InChIKey
GZYLNUQQYSCKBY-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=C3F
ethyl2((6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)amino)333trifluoro2((2fluorobenzoyl)amino)propanoate
ethylN(6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)333trifluoro2(((2fluorophenyl)carbonyl)amino)alaninate
InChI=1SC25H27F4N3O3Sc153522(34)24(25(2728)293120(33)16867918(16)26)322117(1330)15111014(23(23)4)1219(15)3621h691432H51012H214H3(H3133)
MFCD02933251
ZINC000002191807
ZINC000002191810
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