Vitas-M small molecule compound

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

Catalog ID
STK275714
SMILES O=C(C(N1C(=O)C2C(C1=O)C1CC2CC1)C)Nc1cc(C)c(c(c1)C)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 C20H23BrN2O3 MW 419.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23BrN2O3/c1-9-6-14(7-10(2)17(9)21)22-18(24)11(3)23-19(25)15-12-4-5-13(8-12)16(15)20(23)26/h6-7,11-13,15-16H,4-5,8H2,1-3H3,(H,22,24)
InChIKey
SRVMAAVBPGJDNM-UHFFFAOYSA-N
Synonyms

CC1=CC(=CC(=C1Br)C)NC(=O)C(C)N2C(=O)C3C4CCC(C4)C3C2=O
InChI=1SC20H23BrN2O3c19614(710(2)17(9)21)2218(24)11(3)2319(25)15124513(812)16(15)20(23)26h6711131516H458H213H3(H2224)
MFCD03103458
N(4bromo35dimethylphenyl)2(13dioxooctahydro2H47methanoisoindol2yl)propanamide
ZINC000101733462
ZINC000239412447

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Available files

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