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-[(phenylcarbonyl)amino]alaninate
Catalog ID
STK764784
SMILES CCOC(=O)C(C(F)(F)F)(NC(=O)c1ccccc1)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 C25H28F3N3O3S MW 507.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28F3N3O3S/c1-5-34-22(33)24(25(26,27)28,30-20(32)15-9-7-6-8-10-15)31-21-18(14-29)17-12-11-16(23(2,3)4)13-19(17)35-21/h6-10,16,31H,5,11-13H2,1-4H3,(H,30,32)InChIKey
LMGFFYYMPQXCSU-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
ethyl2benzamido2((6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)amino)333trifluoropropanoate
ethylN(6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)333trifluoro2((phenylcarbonyl)amino)alaninate
InChI=1SC25H28F3N3O3Sc153422(33)24(25(2627)283020(32)1597681015)312118(1429)17121116(23(23)4)1319(17)3521h6101631H51113H214H3(H3032)
MFCD02933250
ZINC000002191803
ZINC000002191806
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