Vitas-M small molecule compound
3-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-oxo-5-(pyridinium-1-yl)-1,4,5,6-tetrahydropyridin-2-olate
Catalog ID
STK011009
SMILES N#CC1=C([O-])NC(=O)C(C1c1ccc(c(c1)OC)O)[n+]1ccccc1
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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 C18H15N3O4 MW 337.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O4/c1-25-14-9-11(5-6-13(14)22)15-12(10-19)17(23)20-18(24)16(15)21-7-3-2-4-8-21/h2-9,15-16H,1H3,(H2-,20,22,23,24)InChIKey
DHMDSAYZFPTYPT-UHFFFAOYSA-NSynonyms
3cyano4(4hydroxy3methoxyphenyl)6oxo5(pyridinium1yl)1456tetrahydropyridin2olate
5CYANO4(4HYDROXY3METHOXYPHENYL)2OXO3PYRIDIN1IUM1YL34DIHYDRO1HPYRIDIN6OLATE
COC1=C(C=CC(=C1)C2C(C(=O)NC(=C2C#N)(O))(N+)3=CC=CC=C3)O
InChI=1SC18H15N3O4c12514911(5613(14)22)1512(1019)17(23)2018(24)16(15)217324821h291516H1H3(H220222324)
MFCD08049400
N#CC1=C((O))NC(=O)C(C1c1ccc(c(c1)OC)O)(n+)1ccccc1
STK011009
ZINC000004551271
ZINC000004551274
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Check stock on Vitas-MAvailable files
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