Vitas-M small molecule compound
2-({2-methoxy-4-[(E)-2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]phenoxy}methyl)benzonitrile
Catalog ID
STL015577
SMILES COc1cc(ccc1OCc1ccccc1C#N)/C=C/c1[nH]c(=O)[nH]c(=O)c1[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 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-NSynonyms
708240-46-4(E)2((2methoxy4(2(5nitro26dioxo1236tetrahydropyrimidin4yl)vinyl)phenoxy)methyl)benzonitrile
2((2methoxy4((E)2(5nitro26dioxo1236tetrahydropyrimidin4yl)ethenyl)phenoxy)methyl)benzonitrile
708240464
COc1cc(ccc1OCc1ccccc1C#N)C=Cc1(nH)c(=O)(nH)c(=O)c1(N+)(=O)(O)
MFCD04378697
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