Vitas-M small molecule compound
3-(4-methoxyphenyl)-5-oxo-4-(propan-2-yl)cyclohexane-1,1,2,2-tetracarbonitrile
Catalog ID
STK536794
SMILES COc1ccc(cc1)C1C(C(C)C)C(=O)CC(C1(C#N)C#N)(C#N)C#N
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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)17-16(25)8-19(9-21,10-22)20(11-23,12-24)18(17)14-4-6-15(26-3)7-5-14/h4-7,13,17-18H,8H2,1-3H3InChIKey
ROFNYPZDFRHARM-UHFFFAOYSA-NSynonyms
3(4methoxyphenyl)5oxo4(propan2yl)cyclohexane1122tetracarbonitrile
3(4methoxyphenyl)5oxo4propan2ylcyclohexane1122tetracarbonitrile
4isopropyl3(4methoxyphenyl)5oxocyclohexane1122tetracarbonitrile
CC(C)C1C(C(C(CC1=O)(C#N)C#N)(C#N)C#N)C2=CC=C(C=C2)OC
InChI=1SC20H18N4O2c113(2)1716(25)819(9211022)20(11231224)18(17)144615(263)7514h47131718H8H213H3
MFCD02237210
ZINC000000506978
ZINC000000506981
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