Vitas-M small molecule compound

1,4-bis(heptyloxy)-2,5-dinitrobenzene

Catalog ID
STK002014
SMILES CCCCCCCOc1cc([N+](=O)[O-])c(cc1[N+](=O)[O-])OCCCCCCC

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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 C20H32N2O6 MW 396.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H32N2O6/c1-3-5-7-9-11-13-27-19-15-18(22(25)26)20(16-17(19)21(23)24)28-14-12-10-8-6-4-2/h15-16H,3-14H2,1-2H3
InChIKey
IDZHMQGMKZXDGQ-UHFFFAOYSA-N
Synonyms

14BIS(HEPTYLOXY)25DINITROBENZENE
14DIHEPTOXY25DINITROBENZENE
CCCCCCCOC1=CC(=C(C=C1(N+)(=O)(O))OCCCCCCC)(N+)(=O)(O)
CCCCCCCOc1cc((N+)(=O)(O))c(cc1(N+)(=O)(O))OCCCCCCC
InChI=1SC20H32N2O6c13579111327191518(22(25)26)20(1617(19)21(23)24)281412108642h1516H314H212H3
MFCD00226735
STK002014
ZINC000033353698
ZINC33353698

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Available files

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