Vitas-M small molecule compound
2-(2,3-dimethylcyclohexyl)-3-{[3-(trifluoromethyl)phenyl]amino}-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one
Catalog ID
STK047820
SMILES CC1CCCC(C1C)N1C(Nc2cccc(c2)C(F)(F)F)C2=C(C1=O)CCCC2
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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 C23H29F3N2O MW 406.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29F3N2O/c1-14-7-5-12-20(15(14)2)28-21(18-10-3-4-11-19(18)22(28)29)27-17-9-6-8-16(13-17)23(24,25)26/h6,8-9,13-15,20-21,27H,3-5,7,10-12H2,1-2H3InChIKey
VLHAVWYOZFHRAG-UHFFFAOYSA-NSynonyms
2(23dimethylcyclohexyl)3((3(trifluoromethyl)phenyl)amino)234567hexahydro1Hisoindol1one
2(23dimethylcyclohexyl)3(3(trifluoromethyl)anilino)4567tetrahydro3Hisoindol1one
CC1CCCC(C1C)N1C(Nc2cccc(c2)C(F)(F)F)C2=C(C1=O)CCCC2
CC1CCCC(C1C)N2C(C3=C(C2=O)CCCC3)NC4=CC=CC(=C4)C(F)(F)F
InChI=1SC23H29F3N2Oc114751220(15(14)2)2821(1810341119(18)22(28)29)271796816(1317)23(2425)26h6891315202127H3571012H212H3
MFCD09960024
STK047820
ZINC000009435158
ZINC000245253965
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