Vitas-M small molecule compound

2-({4-[(E)-2-(2,6-dihydroxy-5-nitropyrimidin-4-yl)ethenyl]-2-methoxyphenoxy}methyl)benzonitrile

Catalog ID
STK608234
SMILES COc1cc(ccc1OCc1ccccc1C#N)/C=C/c1nc(O)nc(c1[N+](=O)[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 C21H16N4O6 MW 420.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O6/c1-30-18-10-13(6-8-16-19(25(28)29)20(26)24-21(27)23-16)7-9-17(18)31-12-15-5-3-2-4-14(15)11-22/h2-10H,12H2,1H3,(H2,23,24,26,27)/b8-6+
InChIKey
BFPCZZWMKMJSIC-SOFGYWHQSA-N
Synonyms
708240-46-4
2((2METHOXY4((E)2(5NITRO24DIOXO1HPYRIMIDIN6YL)ETHENYL)PHENOXY)METHYL)BENZONITRILE
2((4((E)2(26dihydroxy5nitropyrimidin4yl)ethenyl)2methoxyphenoxy)methyl)benzonitrile
COC1=C(C=CC(=C1)C=CC2=C(C(=O)NC(=O)N2)(N+)(=O)(O))OCC3=CC=CC=C3C#N
COc1cc(ccc1OCc1ccccc1C#N)C=Cc1nc(O)nc(c1(N+)(=O)(O))O
InChI=1SC21H16N4O6c130181013(681619(25(28)29)20(26)2421(27)2316)7917(18)311215532414(15)1122h210H12H21H3(H223242627)b86+
MFCD08732779
ZINC000008914867
ZINC8914867

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Available files

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