Vitas-M small molecule compound

5-chloro-2-(3-methylphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

Catalog ID
STK993837
SMILES ClC1=CCC2C(C1)C(=O)N(C2=O)c1cccc(c1)C

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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 C15H14ClNO2 MW 275.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14ClNO2/c1-9-3-2-4-11(7-9)17-14(18)12-6-5-10(16)8-13(12)15(17)19/h2-5,7,12-13H,6,8H2,1H3
InChIKey
VIEVMJRONBXSCS-UHFFFAOYSA-N
Synonyms

5chloro2(3methylphenyl)3a477atetrahydro1Hisoindole13(2H)dione
5CHLORO2(3METHYLPHENYL)3A477ATETRAHYDROISOINDOLE13DIONE
5CHLORO2MTOLYL3A477ATETRAHYDROISOINDOLE13DIONE
CC1=CC(=CC=C1)N2C(=O)C3CC=C(CC3C2=O)Cl
InChI=1SC15H14ClNO2c1932411(79)1714(18)126510(16)813(12)15(17)19h2571213H68H21H3
MFCD02223080
ZINC000000270683
ZINC000100564936

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Available files

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