Vitas-M small molecule compound

3-imino-1-methyl-5-phenyl-7-propyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile

Catalog ID
STK528684
SMILES CCCC1C2(C)OC(=N)C(C1(C#N)C#N)(C(O2)c1ccccc1)C#N

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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 C19H18N4O2 MW 334.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O2/c1-3-7-14-17(2)24-15(13-8-5-4-6-9-13)19(12-22,16(23)25-17)18(14,10-20)11-21/h4-6,8-9,14-15,23H,3,7H2,1-2H3/b23-16-
InChIKey
SBKVXNYVGBVMGA-KQWNVCNZSA-N
Synonyms
1005095-88-4
1005095884
3imino1methyl5phenyl7propyl26dioxabicyclo(222)octane488tricarbonitrile
MFCD01955469
ZINC000100724421
ZINC000239203279

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Available files

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