Vitas-M small molecule compound

2-(4-bromo-2-ethylphenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

Catalog ID
STK286210
SMILES CCc1cc(Br)ccc1N1C(=O)C2C(C1=O)C1CC2CC1

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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 C17H18BrNO2 MW 348.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18BrNO2/c1-2-9-8-12(18)5-6-13(9)19-16(20)14-10-3-4-11(7-10)15(14)17(19)21/h5-6,8,10-11,14-15H,2-4,7H2,1H3
InChIKey
RWPJEXGSIKSLJT-UHFFFAOYSA-N
Synonyms

(3AR4R7R7AS)2(4BROMO2ETHYLPHENYL)HEXAHYDRO1H47METHANOISOINDOLE13(2H)DIONE
2(4bromo2ethylphenyl)hexahydro1H47methanoisoindole13(2H)dione
CCC1=C(C=CC(=C1)Br)N2C(=O)C3C4CCC(C4)C3C2=O
InChI=1SC17H18BrNO2c129812(18)5613(9)1916(20)14103411(710)15(14)17(19)21h56810111415H247H21H3
MFCD03349875
ZINC000101698459
ZINC000101895841

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Available files

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