Vitas-M small molecule compound

3-(benzylamino)-2-(2,3-dimethylcyclohexyl)-2,3-dihydro-1H-isoindol-1-one

Catalog ID
STK096962
SMILES CC1CCCC(C1C)N1C(NCc2ccccc2)c2c(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 C23H28N2O MW 348.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2O/c1-16-9-8-14-21(17(16)2)25-22(24-15-18-10-4-3-5-11-18)19-12-6-7-13-20(19)23(25)26/h3-7,10-13,16-17,21-22,24H,8-9,14-15H2,1-2H3
InChIKey
QUHYUADJNNQICY-UHFFFAOYSA-N
Synonyms

3(BENZYLAMINO)2(23DIMETHYLCYCLOHEXYL)23DIHYDRO1HISOINDOL1ONE
3(benzylamino)2(23dimethylcyclohexyl)3Hisoindol1one
CC1CCCC(C1C)N1C(NCc2ccccc2)c2c(C1=O)cccc2
CC1CCCC(C1C)N2C(C3=CC=CC=C3C2=O)NCC4=CC=CC=C4
InChI=1SC23H28N2Oc116981421(17(16)2)2522(241518104351118)1912671320(19)23(25)26h3710131617212224H891415H212H3
MFCD11851133
STK096962
ZINC000020169403
ZINC000245253899

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Available files

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