Vitas-M small molecule compound
{4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]-2-methoxyphenoxy}acetic acid
Catalog ID
STK667314
SMILES COc1cc(/C=C/c2nc(O)c(c(=O)[nH]2)[N+](=O)[O-])ccc1OCC(=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 C15H13N3O8 MW 363.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N3O8/c1-25-10-6-8(2-4-9(10)26-7-12(19)20)3-5-11-16-14(21)13(18(23)24)15(22)17-11/h2-6H,7H2,1H3,(H,19,20)(H2,16,17,21,22)/b5-3+InChIKey
RBHBEWQWGSWVRQ-HWKANZROSA-NSynonyms
(4((E)2(4hydroxy5nitro6oxo16dihydropyrimidin2yl)ethenyl)2methoxyphenoxy)aceticacid
2(4((E)2(4HYDROXY5NITRO6OXO1HPYRIMIDIN2YL)ETHENYL)2METHOXYPHENOXY)ACETICACID
COC1=C(C=CC(=C1)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O)OCC(=O)O
COc1cc(C=Cc2nc(O)c(c(=O)(nH)2)(N+)(=O)(O))ccc1OCC(=O)O
InChI=1SC15H13N3O8c1251068(249(10)26712(19)20)35111614(21)13(18(23)24)15(22)1711h26H7H21H3(H1920)(H216172122)b53+
MFCD06016584
ZINC000012419289
ZINC12419289
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