Vitas-M small molecule compound

4-nitro-5-(1-oxo-4-phenylphthalazin-2(1H)-yl)benzene-1,2-dicarbonitrile

Catalog ID
STK381161
SMILES N#Cc1cc(c(cc1C#N)[N+](=O)[O-])n1nc(c2ccccc2)c2c(c1=O)cccc2

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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 C22H11N5O3 MW 393.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H11N5O3/c23-12-15-10-19(20(27(29)30)11-16(15)13-24)26-22(28)18-9-5-4-8-17(18)21(25-26)14-6-2-1-3-7-14/h1-11H
InChIKey
LGECWNOMCXSHHM-UHFFFAOYSA-N
Synonyms

4nitro5(1oxo4phenylphthalazin2(1H)yl)benzene12dicarbonitrile
4nitro5(1oxo4phenylphthalazin2(1H)yl)phthalonitrile
4NITRO5(1OXO4PHENYLPHTHALAZIN2YL)BENZENE12DICARBONITRILE
5NITRO4(1OXO4PHENYL(2HYDROPHTHALAZIN2YL))BENZENE12DICARBONITRILE
C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=C(C(=C4)C#N)C#N)(N+)(=O)(O)
InChI=1SC22H11N5O3c2312151019(20(27(29)30)1116(15)1324)2622(28)18954817(18)21(2526)146213714h111H
MFCD02376097
N#Cc1cc(c(cc1C#N)(N+)(=O)(O))n1nc(c2ccccc2)c2c(c1=O)cccc2
ZINC000001092726
ZINC01092726
ZINC1092726

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Available files

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