Vitas-M small molecule compound
5-(4-methoxyphenyl)-1-methyl-8-oxobicyclo[2.2.2]octane-2,2,3,3-tetracarbonitrile
Catalog ID
STK764927
SMILES N#CC1(C#N)C2C(=O)CC(C1(C#N)C#N)(CC2c1ccc(cc1)OC)C
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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 C20H16N4O2 MW 344.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O2/c1-18-7-15(13-3-5-14(26-2)6-4-13)17(16(25)8-18)19(9-21,10-22)20(18,11-23)12-24/h3-6,15,17H,7-8H2,1-2H3InChIKey
QBQVXYQRBNNTGT-UHFFFAOYSA-NSynonyms
5(4methoxyphenyl)1methyl8oxobicyclo(222)octane2233tetracarbonitrile
7(4methoxyphenyl)4methyl6oxobicyclo(222)octane2233tetracarbonitrile
CC12CC(C(C(=O)C1)C(C2(C#N)C#N)(C#N)C#N)C3=CC=C(C=C3)OC
InChI=1SC20H16N4O2c118715(133514(262)6413)17(16(25)818)19(9211022)20(181123)1224h361517H78H212H3
MFCD02933356
ZINC000100102707
ZINC000100102709
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