Vitas-M small molecule compound
2-{4-[(E)-2-(4,6-dihydroxy-5-nitropyrimidin-2-yl)ethenyl]phenoxy}-N-(3-methylphenyl)acetamide
Catalog ID
STL416133
SMILES O=C(Nc1cccc(c1)C)COc1ccc(cc1)/C=C/c1nc(O)c(c(n1)O)[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 C21H18N4O6 MW 422.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O6/c1-13-3-2-4-15(11-13)22-18(26)12-31-16-8-5-14(6-9-16)7-10-17-23-20(27)19(25(29)30)21(28)24-17/h2-11H,12H2,1H3,(H,22,26)(H2,23,24,27,28)/b10-7+InChIKey
UFHAGHZYSFTKAQ-JXMROGBWSA-NSynonyms
2(4((E)2(46dihydroxy5nitropyrimidin2yl)ethenyl)phenoxy)N(3methylphenyl)acetamide
2(4((E)2(4hydroxy5nitro6oxo1Hpyrimidin2yl)ethenyl)phenoxy)N(3methylphenyl)acetamide
InChI=1SC21H18N4O6c11332415(1113)2218(26)1231168514(6916)710172320(27)19(25(29)30)21(28)2417h211H12H21H3(H2226)(H223242728)b107+
MFCD30706992
O=C(Nc1cccc(c1)C)COc1ccc(cc1)C=Cc1nc(O)c(c(n1)O)(N+)(=O)(O)
ZINC000009295550
ZINC9295550
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