Vitas-M small molecule compound

2-butyl-3-{[3-(trifluoromethyl)phenyl]amino}-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one

Catalog ID
STK036735
SMILES CCCCN1C(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 C19H23F3N2O MW 352.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23F3N2O/c1-2-3-11-24-17(15-9-4-5-10-16(15)18(24)25)23-14-8-6-7-13(12-14)19(20,21)22/h6-8,12,17,23H,2-5,9-11H2,1H3
InChIKey
YKBIUBOPEBBKAY-UHFFFAOYSA-N
Synonyms

2butyl3((3(trifluoromethyl)phenyl)amino)234567hexahydro1Hisoindol1one
2butyl3(3(trifluoromethyl)anilino)4567tetrahydro3Hisoindol1one
CCCCN1C(C2=C(C1=O)CCCC2)NC3=CC=CC(=C3)C(F)(F)F
CCCCN1C(Nc2cccc(c2)C(F)(F)F)C2=C(C1=O)CCCC2
InChI=1SC19H23F3N2Oc123112417(159451016(15)18(24)25)231486713(1214)19(2021)22h68121723H25911H21H3
MFCD03032747
STK036735
ZINC000009246666
ZINC000009246667

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.