Vitas-M small molecule compound

1-ethyl-6-imino-8-methyl-3-(4-methylphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile

Catalog ID
STL223950
SMILES N#CC1(C#N)C(OC2(C(C1(C#N)C(=N)O2)C)CC)c1ccc(cc1)C

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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/c1-4-19-13(3)18(11-22,16(23)25-19)17(9-20,10-21)15(24-19)14-7-5-12(2)6-8-14/h5-8,13,15,23H,4H2,1-3H3/b23-16+
InChIKey
PSEFZTALOJAXRE-XQNSMLJCSA-N
Synonyms

1ethyl6imino8methyl3(4methylphenyl)27dioxabicyclo(321)octane445tricarbonitrile
1ethyl6imino8methyl3(ptolyl)27dioxabicyclo(321)octane445tricarbonitrile
MFCD03694479
ZINC000005902145
ZINC000230027497

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Available files

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