Vitas-M small molecule compound

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

Catalog ID
STK088717
SMILES ClC1=CCC2C(C1)C(=O)N(C2=O)CNc1ccccc1C

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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 C16H17ClN2O2 MW 304.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17ClN2O2/c1-10-4-2-3-5-14(10)18-9-19-15(20)12-7-6-11(17)8-13(12)16(19)21/h2-6,12-13,18H,7-9H2,1H3
InChIKey
YQPFKHWXSHHUGF-UHFFFAOYSA-N
Synonyms

5CHLORO2(((2METHYLPHENYL)AMINO)METHYL)3A477ATETRAHYDRO1HISOINDOLE13(2H)DIONE
5CHLORO2((2METHYLANILINO)METHYL)3A477ATETRAHYDROISOINDOLE13DIONE
CC1=CC=CC=C1NCN2C(=O)C3CC=C(CC3C2=O)Cl
ClC1=CCC2C(C1)C(=O)N(C2=O)CNc1ccccc1C
InChI=1SC16H17ClN2O2c110423514(10)1891915(20)127611(17)813(12)16(19)21h26121318H79H21H3
MFCD01174941
STK088717
ZINC000000181457
ZINC000100571182

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Available files

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