Vitas-M small molecule compound

2,2'-[hexane-1,6-diylbis(iminomethanediyl)]bis(4-nitrophenol)

Catalog ID
STK099107
SMILES Oc1ccc(cc1CNCCCCCCNCc1cc(ccc1O)[N+](=O)[O-])[N+](=O)[O-]

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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 C20H26N4O6 MW 418.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O6/c25-19-7-5-17(23(27)28)11-15(19)13-21-9-3-1-2-4-10-22-14-16-12-18(24(29)30)6-8-20(16)26/h5-8,11-12,21-22,25-26H,1-4,9-10,13-14H2
InChIKey
GXTPJPSEFOOMGD-UHFFFAOYSA-N
Synonyms
574709-68-5
2((6((2HYDROXY5NITROPHENYL)METHYLAMINO)HEXYLAMINO)METHYL)4NITROPHENOL
22((hexane16diylbis(azanediyl))bis(methylene))bis(4nitrophenol)
22(HEXANE16DIYLBIS(IMINOMETHANEDIYL))BIS(4NITROPHENOL)
4NITRO2((6((5NITRO2OXIDOPHENYL)METHYLAZANIUMYL)HEXYLAZANIUMYL)METHYL)PHENOLATE
574709685
C1=CC(=C(C=C1(N+)(=O)(O))CNCCCCCCNCC2=C(C=CC(=C2)(N+)(=O)(O))O)O
InChI=1SC20H26N4O6c25197517(23(27)28)1115(19)132193124102214161218(24(29)30)6820(16)26h58111221222526H149101314H2
MFCD04160543
Oc1ccc(cc1CNCCCCCCNCc1cc(ccc1O)(N+)(=O)(O))(N+)(=O)(O)
STK099107
ZINC000005162080
ZINC05162080
ZINC5162080

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Available files

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