Vitas-M small molecule compound

N-(4-bromo-2,5-dimethylphenyl)-2-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanamide

Catalog ID
STK275078
SMILES O=C(C(N1C(=O)C2C(C1=O)C1CC2C(C1Br)Br)C)Nc1cc(C)c(cc1C)Br

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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 C20H21Br3N2O3 MW 577.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21Br3N2O3/c1-7-5-13(8(2)4-12(7)21)24-18(26)9(3)25-19(27)14-10-6-11(15(14)20(25)28)17(23)16(10)22/h4-5,9-11,14-17H,6H2,1-3H3,(H,24,26)
InChIKey
IFWNZUBVPWZXCW-UHFFFAOYSA-N
Synonyms

CC1=CC(=C(C=C1Br)C)NC(=O)C(C)N2C(=O)C3C4CC(C3C2=O)C(C4Br)Br
InChI=1SC20H21Br3N2O3c17513(8(2)412(7)21)2418(26)9(3)2519(27)1410611(15(14)20(25)28)17(23)16(10)22h459111417H6H213H3(H2426)
MFCD03185786
N(4bromo25dimethylphenyl)2(56dibromo13dioxooctahydro2H47methanoisoindol2yl)propanamide
ZINC000239310211
ZINC000239310214

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Available files

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