Vitas-M small molecule compound

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

Catalog ID
STK682842
SMILES CCCCCCCCCOC(=O)CNc1nc(NCC(=O)OCCCCCCCCC)nc(n1)Cl

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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 C25H44ClN5O4 MW 514.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H44ClN5O4/c1-3-5-7-9-11-13-15-17-34-21(32)19-27-24-29-23(26)30-25(31-24)28-20-22(33)35-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3,(H2,27,28,29,30,31)
InChIKey
RKJPCHOFSNXCPD-UHFFFAOYSA-N
Synonyms

CCCCCCCCCOC(=O)CNC1=NC(=NC(=N1)Cl)NCC(=O)OCCCCCCCCC
dinonyl22((6chloro135triazine24diyl)diimino)diacetate(nonpreferredname)
InChI=1SC25H44ClN5O4c13579111315173421(32)1927242923(26)3025(3124)282022(33)3518161412108642h320H212H3(H22728293031)
MFCD04060976
NONYL2((4CHLORO6((2NONOXY2OXOETHYL)AMINO)135TRIAZIN2YL)AMINO)ACETATE
ZINC000098005877
ZINC98005877

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Available files

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