Vitas-M small molecule compound

4-chlorophenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate

Catalog ID
STK253470
SMILES Clc1ccc(cc1)OC(=O)c1cccc(c1)N1C(=O)C2C(C1=O)CCCC2

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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 C21H18ClNO4 MW 383.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClNO4/c22-14-8-10-16(11-9-14)27-21(26)13-4-3-5-15(12-13)23-19(24)17-6-1-2-7-18(17)20(23)25/h3-5,8-12,17-18H,1-2,6-7H2
InChIKey
XEALVYOHJGDZBD-UHFFFAOYSA-N
Synonyms

(4chlorophenyl)3(13dioxo3a45677ahexahydroisoindol2yl)benzoate
4chlorophenyl3(13dioxooctahydro2Hisoindol2yl)benzoate
C1CCC2C(C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)OC4=CC=C(C=C4)Cl
InChI=1SC21H18ClNO4c221481016(11914)2721(26)1343515(1213)2319(24)17612718(17)20(23)25h358121718H1267H2
MFCD03146012
ZINC000013846587
ZINC000100839064
ZINC02995563
ZINC02995564
ZINC02995566

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Available files

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