Vitas-M small molecule compound

N-(4-bromo-3,5-dimethylphenyl)-2-(1,3-dioxo-5-phenyloctahydro-2H-4,7-methanoisoindol-2-yl)acetamide

Catalog ID
STK290306
SMILES O=C(CN1C(=O)C2C(C1=O)C1CC2C(C1)c1ccccc1)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 C25H25BrN2O3 MW 481.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25BrN2O3/c1-13-8-17(9-14(2)23(13)26)27-20(29)12-28-24(30)21-16-10-18(15-6-4-3-5-7-15)19(11-16)22(21)25(28)31/h3-9,16,18-19,21-22H,10-12H2,1-2H3,(H,27,29)
InChIKey
IOFCYRHNODJGOY-UHFFFAOYSA-N
Synonyms

CC1=CC(=CC(=C1Br)C)NC(=O)CN2C(=O)C3C4CC(C3C2=O)C(C4)C5=CC=CC=C5
InChI=1SC25H25BrN2O3c113817(914(2)23(13)26)2720(29)122824(30)21161018(156435715)19(1116)22(21)25(28)31h391618192122H1012H212H3(H2729)
MFCD04042394
N(4bromo35dimethylphenyl)2(13dioxo5phenyloctahydro2H47methanoisoindol2yl)acetamide
ZINC000102099277
ZINC000245226108

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Available files

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