Vitas-M small molecule compound
2-({4-[(E)-2-(2,6-dihydroxy-5-nitropyrimidin-4-yl)ethenyl]-2-ethoxyphenoxy}methyl)benzonitrile
Catalog ID
STK614202
SMILES CCOc1cc(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 C22H18N4O6 MW 434.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O6/c1-2-31-19-11-14(7-9-17-20(26(29)30)21(27)25-22(28)24-17)8-10-18(19)32-13-16-6-4-3-5-15(16)12-23/h3-11H,2,13H2,1H3,(H2,24,25,27,28)/b9-7+InChIKey
CZDOPTHGZSNHFF-VQHVLOKHSA-NSynonyms
708218-14-82((2ETHOXY4((E)2(5NITRO24DIOXO1HPYRIMIDIN6YL)ETHENYL)PHENOXY)METHYL)BENZONITRILE
2((4((E)2(26dihydroxy5nitropyrimidin4yl)ethenyl)2ethoxyphenoxy)methyl)benzonitrile
708218148
CCOc1cc(ccc1OCc1ccccc1C#N)C=Cc1nc(O)nc(c1(N+)(=O)(O))O
InChI=1SC22H18N4O6c1231191114(791720(26(29)30)21(27)2522(28)2417)81018(19)321316643515(16)1223h311H213H21H3(H224252728)b97+
MFCD08733795
ZINC000008739854
ZINC8739854
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