Vitas-M small molecule compound

3-cyano-4-(2-iodophenyl)-6-oxo-5-(pyridinium-1-yl)-1,4,5,6-tetrahydropyridin-2-olate

Catalog ID
STK870135
SMILES N#CC1=C([O-])NC(=O)C(C1c1ccccc1I)[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 C17H12IN3O2 MW 417.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12IN3O2/c18-13-7-3-2-6-11(13)14-12(10-19)16(22)20-17(23)15(14)21-8-4-1-5-9-21/h1-9,14-15H,(H-,20,22,23)
InChIKey
BMBUFKKFTCLMIK-UHFFFAOYSA-N
Synonyms

3cyano4(2iodophenyl)6oxo5(pyridinium1yl)1456tetrahydropyridin2olate
5CYANO4(2IODOPHENYL)2OXO3PYRIDIN1IUM1YL34DIHYDRO1HPYRIDIN6OLATE
C1=CC=(N+)(C=C1)C2C(C(=C(NC2=O)(O))C#N)C3=CC=CC=C3I
InChI=1SC17H12IN3O2c1813732611(13)1412(1019)16(22)2017(23)15(14)218415921h191415H(H202223)
MFCD02932659
N#CC1=C((O))NC(=O)C(C1c1ccccc1I)(n+)1ccccc1
ZINC000002190310
ZINC000003656944

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.