Vitas-M small molecule compound

4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxylate

Catalog ID
STK264834
SMILES O=C(C1CC(=O)N(C1)c1cccc(c1)C)Oc1ccc(cc1)N1C(=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 C27H26N2O5 MW 458.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O5/c1-15-3-2-4-20(11-15)28-14-18(13-22(28)30)27(33)34-21-9-7-19(8-10-21)29-25(31)23-16-5-6-17(12-16)24(23)26(29)32/h2-4,7-11,16-18,23-24H,5-6,12-14H2,1H3
InChIKey
AVHHHUWGVZZICO-UHFFFAOYSA-N
Synonyms

4(13dioxooctahydro2H47methanoisoindol2yl)phenyl1(3methylphenyl)5oxopyrrolidine3carboxylate
CC1=CC(=CC=C1)N2CC(CC2=O)C(=O)OC3=CC=C(C=C3)N4C(=O)C5C6CCC(C6)C5C4=O
InChI=1SC27H26N2O5c11532420(1115)281418(1322(28)30)27(33)34219719(81021)2925(31)23165617(1216)24(23)26(29)32h2471116182324H561214H21H3
MFCD06194778
ZINC000101467391
ZINC000239009563

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Available files

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