Vitas-M small molecule compound

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

Catalog ID
STK268998
SMILES O=C1N(c2cccc(c2)OC(=O)c2ccccc2)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 C22H19NO4 MW 361.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19NO4/c24-20-18-14-9-10-15(11-14)19(18)21(25)23(20)16-7-4-8-17(12-16)27-22(26)13-5-2-1-3-6-13/h1-8,12,14-15,18-19H,9-11H2
InChIKey
NHPQSMVZRNXIJT-UHFFFAOYSA-N
Synonyms

3(13dioxooctahydro2H47methanoisoindol2yl)phenylbenzoate
C1CC2CC1C3C2C(=O)N(C3=O)C4=CC(=CC=C4)OC(=O)C5=CC=CC=C5
InChI=1SC22H19NO4c2420181491015(1114)19(18)21(25)23(20)1674817(1216)2722(26)135213613h181214151819H911H2
MFCD02602578
ZINC000100743984
ZINC000239165000

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Available files

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