Vitas-M small molecule compound

2-(4-methoxyphenyl)-2-oxoethyl 3-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate

Catalog ID
STK269058
SMILES COc1ccc(cc1)C(=O)COC(=O)c1cccc(c1)N1C(=O)C2C(C1=O)CC(C(C2)Br)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 C24H21Br2NO6 MW 579.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21Br2NO6/c1-32-16-7-5-13(6-8-16)21(28)12-33-24(31)14-3-2-4-15(9-14)27-22(29)17-10-19(25)20(26)11-18(17)23(27)30/h2-9,17-20H,10-12H2,1H3
InChIKey
ZJMFEKMJDDAULA-UHFFFAOYSA-N
Synonyms

(2(4methoxyphenyl)2oxoethyl)3(56dibromo13dioxo3a45677ahexahydroisoindol2yl)benzoate
2(4methoxyphenyl)2oxoethyl3(56dibromo13dioxooctahydro2Hisoindol2yl)benzoate
COC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)N3C(=O)C4CC(C(CC4C3=O)Br)Br
InChI=1SC24H21Br2NO6c132167513(6816)21(28)123324(31)1432415(914)2722(29)171019(25)20(26)1118(17)23(27)30h291720H1012H21H3
MFCD01885302
ZINC000102660802
ZINC000239439059

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Available files

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