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-[(furan-2-ylcarbonyl)amino]alaninate
Catalog ID
STK764786
SMILES CCOC(=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 C23H26F3N3O4S MW 497.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26F3N3O4S/c1-5-32-20(31)22(23(24,25)26,28-18(30)16-7-6-10-33-16)29-19-15(12-27)14-9-8-13(21(2,3)4)11-17(14)34-19/h6-7,10,13,29H,5,8-9,11H2,1-4H3,(H,28,30)InChIKey
JRRNMRBHXMRSHI-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=CO3
ethyl2((6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)amino)333trifluoro2(furan2carbonylamino)propanoate
ethylN(6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)333trifluoro2((furan2ylcarbonyl)amino)alaninate
InChI=1SC23H26F3N3O4Sc153220(31)22(23(2425)262818(30)1676103316)291915(1227)149813(21(23)4)1117(14)3419h67101329H58911H214H3(H2830)
MFCD02933252
ZINC000002191811
ZINC000002191814
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