Vitas-M small molecule compound

4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl 2-methoxybenzoate

Catalog ID
STK275044
SMILES COc1ccccc1C(=O)Oc1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2C=C1

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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 C23H19NO5 MW 389.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19NO5/c1-28-18-5-3-2-4-17(18)23(27)29-16-10-8-15(9-11-16)24-21(25)19-13-6-7-14(12-13)20(19)22(24)26/h2-11,13-14,19-20H,12H2,1H3
InChIKey
AFLIYQMWWXQNOO-UHFFFAOYSA-N
Synonyms

4(13dioxo133a477ahexahydro2H47methanoisoindol2yl)phenyl2methoxybenzoate
COC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)N3C(=O)C4C5CC(C4C3=O)C=C5
InChI=1SC23H19NO5c12818532417(18)23(27)291610815(91116)2421(25)19136714(1213)20(19)22(24)26h21113141920H12H21H3
MFCD03186630
ZINC000102531542
ZINC000102624667

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Available files

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