Vitas-M small molecule compound

N-(4-bromo-2,3-dimethylphenyl)-3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzamide

Catalog ID
STK275673
SMILES O=C1N(c2cccc(c2)C(=O)Nc2ccc(c(c2C)C)Br)C(=O)C2C1C1C=CC2C2C1C2

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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 C26H23BrN2O3 MW 491.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23BrN2O3/c1-12-13(2)21(9-8-20(12)27)28-24(30)14-4-3-5-15(10-14)29-25(31)22-16-6-7-17(19-11-18(16)19)23(22)26(29)32/h3-10,16-19,22-23H,11H2,1-2H3,(H,28,30)
InChIKey
MCBVFJMJMFXKJF-UHFFFAOYSA-N
Synonyms

CC1=C(C=CC(=C1C)Br)NC(=O)C2=CC(=CC=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6
InChI=1SC26H23BrN2O3c11213(2)21(9820(12)27)2824(30)1443515(1014)2925(31)22166717(191118(16)19)23(22)26(29)32h31016192223H11H212H3(H2830)
MFCD03103987
N(4bromo23dimethylphenyl)3(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)benzamide
ZINC000239347090
ZINC000245227720

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Available files

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