Vitas-M small molecule compound

2-bromo-5,5-diethyl-6-hydroxy-5,6-dihydropyridine-3,4,4(1H)-tricarbonitrile

Catalog ID
STK688859
SMILES CCC1(CC)C(O)NC(=C(C1(C#N)C#N)C#N)Br

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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 C12H13BrN4O MW 309.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13BrN4O/c1-3-11(4-2)10(18)17-9(13)8(5-14)12(11,6-15)7-16/h10,17-18H,3-4H2,1-2H3
InChIKey
XEVCKRIILARIFP-UHFFFAOYSA-N
Synonyms
2bromo55diethyl6hydroxy56dihydropyridine344(1H)tricarbonitrile
6BROMO33DIETHYL2HYDROXY12DIHYDROPYRIDINE445TRICARBONITRILE
CCC1(C(NC(=C(C1(C#N)C#N)C#N)Br)O)CC
Registry IDs
MFCD07658870
ZINC000019933576
ZINC000019933579

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Available files

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