Vitas-M small molecule compound

3,3-dimethyl-2-oxobutyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate

Catalog ID
STK258338
SMILES O=C1N(c2ccc(cc2)C(=O)OCC(=O)C(C)(C)C)C(=O)C2C1C1CCC2C1

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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 C22H25NO5 MW 383.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO5/c1-22(2,3)16(24)11-28-21(27)12-6-8-15(9-7-12)23-19(25)17-13-4-5-14(10-13)18(17)20(23)26/h6-9,13-14,17-18H,4-5,10-11H2,1-3H3
InChIKey
RMQCCKLLPIYWAU-UHFFFAOYSA-N
Synonyms

33dimethyl2oxobutyl4(13dioxooctahydro2H47methanoisoindol2yl)benzoate
CC(C)(C)C(=O)COC(=O)C1=CC=C(C=C1)N2C(=O)C3C4CCC(C4)C3C2=O
InChI=1SC22H25NO5c122(23)16(24)112821(27)126815(9712)2319(25)17134514(1013)18(17)20(23)26h6913141718H451011H213H3
MFCD03835752
ZINC000100395038
ZINC000239403100

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Available files

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