Vitas-M small molecule compound

2-chlorophenyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate

Catalog ID
STK257911
SMILES O=C1N(c2ccc(cc2)C(=O)Oc2ccccc2Cl)C(=O)C2C1C1C=CC2C1

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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 C22H16ClNO4 MW 393.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClNO4/c23-16-3-1-2-4-17(16)28-22(27)12-7-9-15(10-8-12)24-20(25)18-13-5-6-14(11-13)19(18)21(24)26/h1-10,13-14,18-19H,11H2
InChIKey
WCXLMFRKQVALBF-UHFFFAOYSA-N
Synonyms

2chlorophenyl4(13dioxo133a477ahexahydro2H47methanoisoindol2yl)benzoate
C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OC5=CC=CC=C5Cl
InChI=1SC22H16ClNO4c2316312417(16)2822(27)127915(10812)2420(25)18135614(1113)19(18)21(24)26h11013141819H11H2
MFCD03577429
ZINC000102549964
ZINC000239235525

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Available files

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