Vitas-M small molecule compound

2-(4-methoxyphenyl)-2-oxoethyl 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate

Catalog ID
STK268788
SMILES COc1ccc(cc1)C(=O)COC(=O)c1ccccc1N1C(=O)C2C(C1=O)C1CC2CC1

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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 C25H23NO6 MW 433.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23NO6/c1-31-17-10-8-14(9-11-17)20(27)13-32-25(30)18-4-2-3-5-19(18)26-23(28)21-15-6-7-16(12-15)22(21)24(26)29/h2-5,8-11,15-16,21-22H,6-7,12-13H2,1H3
InChIKey
GBHRMHTUHMCRIN-UHFFFAOYSA-N
Synonyms

2(4methoxyphenyl)2oxoethyl2(13dioxooctahydro2H47methanoisoindol2yl)benzoate
COC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2N3C(=O)C4C5CCC(C5)C4C3=O
InChI=1SC25H23NO6c1311710814(91117)20(27)133225(30)18423519(18)2623(28)21156716(1215)22(21)24(26)29h2581115162122H671213H21H3
MFCD01362199
ZINC000100552503
ZINC000101889984

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Available files

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