Vitas-M small molecule compound
6-(4-methoxyphenyl)-4-oxo-3-(propan-2-yl)cyclohexane-1,1,2,2-tetracarbonitrile
Catalog ID
STK536259
SMILES N#CC1(C#N)C(CC(=O)C(C1(C#N)C#N)C(C)C)c1ccc(cc1)OC
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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 C20H18N4O2 MW 346.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O2/c1-13(2)18-17(25)8-16(14-4-6-15(26-3)7-5-14)19(9-21,10-22)20(18,11-23)12-24/h4-7,13,16,18H,8H2,1-3H3InChIKey
ISMQMIQHILILPT-UHFFFAOYSA-NSynonyms
3isopropyl6(4methoxyphenyl)4oxocyclohexane1122tetracarbonitrile
6(4methoxyphenyl)4oxo3(propan2yl)cyclohexane1122tetracarbonitrile
6(4methoxyphenyl)4oxo3propan2ylcyclohexane1122tetracarbonitrile
CC(C)C1C(=O)CC(C(C1(C#N)C#N)(C#N)C#N)C2=CC=C(C=C2)OC
InChI=1SC20H18N4O2c113(2)1817(25)816(144615(263)7514)19(9211022)20(181123)1224h47131618H8H213H3
MFCD02233696
ZINC000000506221
ZINC000000506224
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