Vitas-M small molecule compound
(3E)-1-cyclohexyl-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-2-oxo-1,2,3,4-tetrahydroquinoxaline-6,7-dicarbonitrile
Catalog ID
STK694915
SMILES N#Cc1cc2[nH]/c(=C/C(=O)c3ccc(cc3)OC)/c(=O)n(c2cc1C#N)C1CCCCC1
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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 C25H22N4O3 MW 426.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O3/c1-32-20-9-7-16(8-10-20)24(30)13-22-25(31)29(19-5-3-2-4-6-19)23-12-18(15-27)17(14-26)11-21(23)28-22/h7-13,19,28H,2-6H2,1H3/b22-13+InChIKey
FTNKUPOJGYPJTQ-LPYMAVHISA-NSynonyms
(2E)4cyclohexyl2(2(4methoxyphenyl)2oxoethylidene)3oxo1Hquinoxaline67dicarbonitrile
(3E)1cyclohexyl3(2(4methoxyphenyl)2oxoethylidene)2oxo1234tetrahydroquinoxaline67dicarbonitrile
COC1=CC=C(C=C1)C(=O)C=C2C(=O)N(C3=C(N2)C=C(C(=C3)C#N)C#N)C4CCCCC4
InChI=1SC25H22N4O3c132209716(81020)24(30)132225(31)29(195324619)231218(1527)17(1426)1121(23)2822h7131928H26H21H3b2213+
MFCD12035101
N#Cc1cc2(nH)c(=CC(=O)c3ccc(cc3)OC)c(=O)n(c2cc1C#N)C1CCCCC1
ZINC000035326256
ZINC35326256
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