Vitas-M small molecule compound

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

Catalog ID
STK359422
SMILES O=C1C2CC=CCC2C(=O)N1CNc1ccc(cc1)Cl

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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 C15H15ClN2O2 MW 290.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15ClN2O2/c16-10-5-7-11(8-6-10)17-9-18-14(19)12-3-1-2-4-13(12)15(18)20/h1-2,5-8,12-13,17H,3-4,9H2
InChIKey
QQTODFTWBMRQSV-UHFFFAOYSA-N
Synonyms

1HISOINDOLE13(2H)DIONE2(((4CHLOROPHENYL)AMINO)METHYL)3A477ATETRAHYDRO
2(((4chlorophenyl)amino)methyl)3a477atetrahydro1Hisoindole13(2H)dione
2((4CHLOROANILINO)METHYL)3A477ATETRAHYDROISOINDOLE13DIONE
C1C=CCC2C1C(=O)N(C2=O)CNC3=CC=C(C=C3)Cl
InChI=1SC15H15ClN2O2c16105711(8610)1791814(19)12312413(12)15(18)20h1258121317H349H2
MFCD11852441
ZINC000017289405
ZINC000102086528

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Available files

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