Vitas-M small molecule compound

butyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate

Catalog ID
STK268371
SMILES CCCCOC(=O)c1cccc(c1)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 C20H23NO4 MW 341.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO4/c1-2-3-9-25-20(24)14-5-4-6-15(11-14)21-18(22)16-12-7-8-13(10-12)17(16)19(21)23/h4-6,11-13,16-17H,2-3,7-10H2,1H3
InChIKey
FMBXBIAQLGVCDL-UHFFFAOYSA-N
Synonyms

butyl3(13dioxooctahydro2H47methanoisoindol2yl)benzoate
CCCCOC(=O)C1=CC(=CC=C1)N2C(=O)C3C4CCC(C4)C3C2=O
InChI=1SC20H23NO4c12392520(24)1454615(1114)2118(22)16127813(1012)17(16)19(21)23h4611131617H23710H21H3
MFCD01156352
ZINC000100623799
ZINC000101145768

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Available files

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