Vitas-M small molecule compound
3-cyano-4-(4-fluorophenyl)-6-oxo-5-(pyridinium-1-yl)-1,4,5,6-tetrahydropyridin-2-olate
Catalog ID
STK009240
SMILES N#CC1=C([O-])NC(=O)C(C1c1ccc(cc1)F)[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 C17H12FN3O2 MW 309.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12FN3O2/c18-12-6-4-11(5-7-12)14-13(10-19)16(22)20-17(23)15(14)21-8-2-1-3-9-21/h1-9,14-15H,(H-,20,22,23)InChIKey
DPZRRQFHMFMHPZ-UHFFFAOYSA-NSynonyms
3cyano4(4fluorophenyl)6oxo5(pyridinium1yl)1456tetrahydropyridin2olate
5CYANO4(4FLUOROPHENYL)2OXO3PYRIDIN1IUM1YL34DIHYDRO1HPYRIDIN6OLATE
C1=CC=(N+)(C=C1)C2C(C(=C(NC2=O)(O))C#N)C3=CC=C(C=C3)F
InChI=1SC17H12FN3O2c18126411(5712)1413(1019)16(22)2017(23)15(14)218213921h191415H(H202223)
MFCD00487017
N#CC1=C((O))NC(=O)C(C1c1ccc(cc1)F)(n+)1ccccc1
STK009240
ZINC000004550983
ZINC000004550986
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