Vitas-M small molecule compound

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

Catalog ID
STL302855
SMILES N#CC1(C#N)C(OC2(C(C1(C#N)C(=N)O2)C)CC)c1ccc(cc1)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 C19H18N4O3 MW 350.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O3/c1-4-19-12(2)18(11-22,16(23)26-19)17(9-20,10-21)15(25-19)13-5-7-14(24-3)8-6-13/h5-8,12,15,23H,4H2,1-3H3/b23-16+
InChIKey
GTRWMWKCKQQGHI-XQNSMLJCSA-N
Synonyms

1ethyl6imino3(4methoxyphenyl)8methyl27dioxabicyclo(321)octane445tricarbonitrile
MFCD03691288
ZINC000005902128
ZINC000229973475

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Available files

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