Vitas-M small molecule compound

4-nitro-5-(pyridin-2-ylsulfanyl)benzene-1,2-dicarbonitrile

Catalog ID
STK778544
SMILES N#Cc1cc(Sc2ccccn2)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 C13H6N4O2S MW 282.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H6N4O2S/c14-7-9-5-11(17(18)19)12(6-10(9)8-15)20-13-3-1-2-4-16-13/h1-6H
InChIKey
DCQKOJCGMKFVRM-UHFFFAOYSA-N
Synonyms

4NITRO5(2PYRIDYLTHIO)BENZENE12DICARBONITRILE
4nitro5(pyridin2ylsulfanyl)benzene12dicarbonitrile
4NITRO5(PYRIDIN2YLTHIO)PHTHALONITRILE
4NITRO5PYRIDIN2YLSULFANYLBENZENE12DICARBONITRILE
C1=CC=NC(=C1)SC2=C(C=C(C(=C2)C#N)C#N)(N+)(=O)(O)
InChI=1SC13H6N4O2Sc1479511(17(18)19)12(610(9)815)201331241613h16H
MFCD05856776
N#Cc1cc(Sc2ccccn2)c(cc1C#N)(N+)(=O)(O)
ZINC000001427760
ZINC01427760
ZINC1427760

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Available files

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