Vitas-M small molecule compound
4-(4-cyclohexylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile
Catalog ID
STK388141
SMILES N#Cc1cc(Oc2ccc(cc2)C2CCCCC2)c(cc1C#N)[N+](=O)[O-]
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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 C20H17N3O3 MW 347.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O3/c21-12-16-10-19(23(24)25)20(11-17(16)13-22)26-18-8-6-15(7-9-18)14-4-2-1-3-5-14/h6-11,14H,1-5H2InChIKey
RGUWRINPZFRUPK-UHFFFAOYSA-NSynonyms
355397-39-6355397396
4(4CYCLOHEXYLPHENOXY)5NITROBENZENE12DICARBONITRILE
5(4CYCLOHEXYLPHENOXY)4NITROBENZENE12DICARBONITRILE
C1CCC(CC1)C2=CC=C(C=C2)OC3=C(C=C(C(=C3)C#N)C#N)(N+)(=O)(O)
InChI=1SC20H17N3O3c2112161019(23(24)25)20(1117(16)1322)26188615(7918)144213514h61114H15H2
MFCD02040980
N#Cc1cc(Oc2ccc(cc2)C2CCCCC2)c(cc1C#N)(N+)(=O)(O)
ZINC000000453211
ZINC00453211
ZINC453211
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