Vitas-M small molecule compound

dinonyl 2,2'-[(6-cyano-1,3,5-triazine-2,4-diyl)diimino]diacetate (non-preferred name)

Catalog ID
STK682843
SMILES CCCCCCCCCOC(=O)CNc1nc(NCC(=O)OCCCCCCCCC)nc(n1)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 C26H44N6O4 MW 504.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H44N6O4/c1-3-5-7-9-11-13-15-17-35-23(33)20-28-25-30-22(19-27)31-26(32-25)29-21-24(34)36-18-16-14-12-10-8-6-4-2/h3-18,20-21H2,1-2H3,(H2,28,29,30,31,32)
InChIKey
MRGYPQGNUXHUIG-UHFFFAOYSA-N
Synonyms

CCCCCCCCCOC(=O)CNC1=NC(=NC(=N1)C#N)NCC(=O)OCCCCCCCCC
dinonyl22((6cyano135triazine24diyl)diimino)diacetate(nonpreferredname)
InChI=1SC26H44N6O4c13579111315173523(33)2028253022(1927)3126(3225)292124(34)3618161412108642h3182021H212H3(H22829303132)
MFCD04060977
NONYL2((4CYANO6((2NONOXY2OXOETHYL)AMINO)135TRIAZIN2YL)AMINO)ACETATE
ZINC000033354998
ZINC33354998

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Available files

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