Vitas-M small molecule compound

2-{[(2,6-dimethylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

Catalog ID
STK387144
SMILES O=C1C2CC=CCC2C(=O)N1CNc1c(C)cccc1C

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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 C17H20N2O2 MW 284.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N2O2/c1-11-6-5-7-12(2)15(11)18-10-19-16(20)13-8-3-4-9-14(13)17(19)21/h3-7,13-14,18H,8-10H2,1-2H3
InChIKey
AJZRADKNVMZRSP-UHFFFAOYSA-N
Synonyms

2(((26dimethylphenyl)amino)methyl)3a477atetrahydro1Hisoindole13(2H)dione
2(((26DIMETHYLPHENYL)AMINO)METHYL)473A7ATETRAHYDROISOINDOLE13DIONE
2((26DIMETHYLANILINO)METHYL)3A477ATETRAHYDROISOINDOLE13DIONE
2((26DIMETHYLPHENYLAMINO)METHYL)3A477ATETRAHYDROISOINDOLE13DIONE
CC1=C(C(=CC=C1)C)NCN2C(=O)C3CC=CCC3C2=O
InChI=1SC17H20N2O2c11165712(2)15(11)18101916(20)13834914(13)17(19)21h37131418H810H212H3
MFCD01068353
ZINC000013590789
ZINC000100522998

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Available files

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