Vitas-M small molecule compound

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

Catalog ID
STK996454
SMILES CCCCN1C(=O)C2C(C1=O)CC(=CC2)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 C12H16ClNO2 MW 241.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16ClNO2/c1-2-3-6-14-11(15)9-5-4-8(13)7-10(9)12(14)16/h4,9-10H,2-3,5-7H2,1H3
InChIKey
SHHQWCFPXBMQNF-UHFFFAOYSA-N
Synonyms

2butyl5chloro3a477atetrahydro1Hisoindole13(2H)dione
2butyl5chloro3a477atetrahydroisoindole13dione
CCCCN1C(=O)C2CC=C(CC2C1=O)Cl
InChI=1SC12H16ClNO2c12361411(15)9548(13)710(9)12(14)16h4910H2357H21H3
MFCD00698960
ZINC000026957055
ZINC000102846824

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Available files

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