Vitas-M small molecule compound
methyl N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-[(furan-2-ylcarbonyl)amino]alaninate
Catalog ID
STK765676
SMILES COC(=O)C(C(F)(F)F)(NC(=O)c1ccco1)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 C22H24F3N3O4S MW 483.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24F3N3O4S/c1-20(2,3)12-7-8-13-14(11-26)18(33-16(13)10-12)28-21(19(30)31-4,22(23,24)25)27-17(29)15-6-5-9-32-15/h5-6,9,12,28H,7-8,10H2,1-4H3,(H,27,29)InChIKey
DQJLUSKHHOWHMY-UHFFFAOYSA-NSynonyms
CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(C(=O)OC)(C(F)(F)F)NC(=O)C3=CC=CO3
InChI=1SC22H24F3N3O4Sc120(23)12781314(1126)18(3316(13)1012)2821(19(30)31422(2324)25)2717(29)156593215h5691228H7810H214H3(H2729)
methyl2((6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)amino)333trifluoro2(furan2carbonylamino)propanoate
methylN(6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)333trifluoro2((furan2ylcarbonyl)amino)alaninate
MFCD02933997
ZINC000002191795
ZINC000002191798
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