Vitas-M small molecule compound

3-methyl-5-oxo-4-propylcyclohexane-1,1,2,2-tetracarbonitrile

Catalog ID
STK762535
SMILES CCCC1C(=O)CC(C(C1C)(C#N)C#N)(C#N)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 C14H14N4O MW 254.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N4O/c1-3-4-11-10(2)14(8-17,9-18)13(6-15,7-16)5-12(11)19/h10-11H,3-5H2,1-2H3
InChIKey
UKLAQRSOXHJETG-UHFFFAOYSA-N
Synonyms

3methyl5oxo4propylcyclohexane1122tetracarbonitrile
CCCC1C(C(C(CC1=O)(C#N)C#N)(C#N)C#N)C
InChI=1SC14H14N4Oc1341110(2)14(817918)13(615716)512(11)19h1011H35H212H3
MFCD01872107
ZINC000000097963
ZINC000000097973

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Available files

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