Vitas-M small molecule compound

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

Catalog ID
STK268383
SMILES CCCCCOC(=O)c1ccc(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 C21H25NO4 MW 355.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO4/c1-2-3-4-11-26-21(25)13-7-9-16(10-8-13)22-19(23)17-14-5-6-15(12-14)18(17)20(22)24/h7-10,14-15,17-18H,2-6,11-12H2,1H3
InChIKey
OTLUDXHDCJYXCB-UHFFFAOYSA-N
Synonyms

CCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C4CCC(C4)C3C2=O
InChI=1SC21H25NO4c1234112621(25)137916(10813)2219(23)17145615(1214)18(17)20(22)24h71014151718H261112H21H3
MFCD01156366
pentyl4(13dioxooctahydro2H47methanoisoindol2yl)benzoate
ZINC000100743405
ZINC000102609230

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Available files

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