Vitas-M small molecule compound

6-imino-3-(3-methoxyphenyl)-1,8-dimethyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile

Catalog ID
STK523676
SMILES N#CC1(C#N)C(OC2(C(C1(C#N)C(=N)O2)C)C)c1cccc(c1)OC

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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 C18H16N4O3 MW 336.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O3/c1-11-16(2)24-14(12-5-4-6-13(7-12)23-3)17(8-19,9-20)18(11,10-21)15(22)25-16/h4-7,11,14,22H,1-3H3/b22-15+
InChIKey
LDVUBUDWDJEHNC-PXLXIMEGSA-N
Synonyms

6imino3(3methoxyphenyl)18dimethyl27dioxabicyclo(321)octane445tricarbonitrile
MFCD03694547
ZINC000217608420
ZINC000239135375

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Available files

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