Vitas-M small molecule compound

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

Catalog ID
STK253491
SMILES O=C(c1ccc(cc1)N1C(=O)C2C(C1=O)CCCC2)Oc1ccc(cc1)Cl

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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/c22-14-7-11-16(12-8-14)27-21(26)13-5-9-15(10-6-13)23-19(24)17-3-1-2-4-18(17)20(23)25/h5-12,17-18H,1-4H2
InChIKey
MZRZKBQHTZPHRK-UHFFFAOYSA-N
Synonyms

(4chlorophenyl)4(13dioxo3a45677ahexahydroisoindol2yl)benzoate
4chlorophenyl4(13dioxooctahydro2Hisoindol2yl)benzoate
C1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC4=CC=C(C=C4)Cl
InChI=1SC21H18ClNO4c221471116(12814)2721(26)135915(10613)2319(24)17312418(17)20(23)25h5121718H14H2
MFCD03146247
ZINC000013846612
ZINC000100838972
ZINC02996398
ZINC02996399
ZINC02996401

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Available files

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