Vitas-M small molecule compound

3-(benzylcarbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid

Catalog ID
STK475203
SMILES O=C(C1C2CCC(C1C(=O)O)CC2)NCc1ccccc1

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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 C17H21NO3 MW 287.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21NO3/c19-16(18-10-11-4-2-1-3-5-11)14-12-6-8-13(9-7-12)15(14)17(20)21/h1-5,12-15H,6-10H2,(H,18,19)(H,20,21)
InChIKey
GDGDWULESJQMHB-UHFFFAOYSA-N
Synonyms

2(BENZYLCARBAMOYL)BICYCLO(222)OCTANE3CARBOXYLICACID
3(benzylcarbamoyl)bicyclo(222)octane2carboxylicacid
3(NBENZYLCARBAMOYL)BICYCLO(222)OCTANE2CARBOXYLICACID
C1CC2CCC1C(C2C(=O)O)C(=O)NCC3=CC=CC=C3
InChI=1SC17H21NO3c1916(1810114213511)14126813(9712)15(14)17(20)21h151215H610H2(H1819)(H2021)
MFCD06065661
ZINC000006728903
ZINC000006728910

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Available files

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