Vitas-M small molecule compound

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

Catalog ID
STK257786
SMILES O=C(C(N1C(=O)C2C(C1=O)C1CC2CC1)Cc1ccccc1)Nc1ccc(c(c1C)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 C26H27BrN2O3 MW 495.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27BrN2O3/c1-14-15(2)20(11-10-19(14)27)28-24(30)21(12-16-6-4-3-5-7-16)29-25(31)22-17-8-9-18(13-17)23(22)26(29)32/h3-7,10-11,17-18,21-23H,8-9,12-13H2,1-2H3,(H,28,30)
InChIKey
XNENVHSWHNBSLW-UHFFFAOYSA-N
Synonyms

CC1=C(C=CC(=C1C)Br)NC(=O)C(CC2=CC=CC=C2)N3C(=O)C4C5CCC(C5)C4C3=O
InChI=1SC26H27BrN2O3c11415(2)20(111019(14)27)2824(30)21(12166435716)2925(31)22178918(1317)23(22)26(29)32h37101117182123H891213H212H3(H2830)
MFCD03185792
N(4BROMO23DIMETHYLPHENYL)2(13DIOXOOCTAHYDRO2H47METHANOISOINDOL2YL)3PHENYLPROPANAMIDE
ZINC000101697071
ZINC000239433327

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Available files

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