Vitas-M small molecule compound

4,4'-[(5-methylbenzene-1,3-diyl)bis(oxy)]bis(5-nitrobenzene-1,2-dicarbonitrile)

Catalog ID
STK761580
SMILES N#Cc1cc(Oc2cc(cc(c2)C)Oc2cc(C#N)c(cc2[N+](=O)[O-])C#N)c(cc1C#N)[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 C23H10N6O6 MW 466.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H10N6O6/c1-13-2-18(34-22-6-16(11-26)14(9-24)4-20(22)28(30)31)8-19(3-13)35-23-7-17(12-27)15(10-25)5-21(23)29(32)33/h2-8H,1H3
InChIKey
PRRBMWXJJGYONM-UHFFFAOYSA-N
Synonyms
298684-01-2
298684012
4(3(45DICYANO2NITROPHENOXY)5METHYLPHENOXY)5NITROBENZENE12DICARBONITRILE
44((5methylbenzene13diyl)bis(oxy))bis(5nitrobenzene12dicarbonitrile)
CC1=CC(=CC(=C1)OC2=C(C=C(C(=C2)C#N)C#N)(N+)(=O)(O))OC3=C(C=C(C(=C3)C#N)C#N)(N+)(=O)(O)
InChI=1SC23H10N6O6c113218(3422616(1126)14(924)420(22)28(30)31)819(313)3523717(1227)15(1025)521(23)29(32)33h28H1H3
MFCD02040995
N#Cc1cc(Oc2cc(cc(c2)C)Oc2cc(C#N)c(cc2(N+)(=O)(O))C#N)c(cc1C#N)(N+)(=O)(O)
ZINC000002776060
ZINC02776060
ZINC2776060

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Available files

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