Vitas-M small molecule compound
{2-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]-6-methoxyphenoxy}acetic acid
Catalog ID
STK667315
SMILES COc1cccc(c1OCC(=O)O)/C=C/c1nc(O)c(c(=O)[nH]1)[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 C15H13N3O8 MW 363.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N3O8/c1-25-9-4-2-3-8(13(9)26-7-11(19)20)5-6-10-16-14(21)12(18(23)24)15(22)17-10/h2-6H,7H2,1H3,(H,19,20)(H2,16,17,21,22)/b6-5+InChIKey
YFOGEHLJFQNLRN-AATRIKPKSA-NSynonyms
(2((E)2(4hydroxy5nitro6oxo16dihydropyrimidin2yl)ethenyl)6methoxyphenoxy)aceticacid
2(2((E)2(4HYDROXY5NITRO6OXO1HPYRIMIDIN2YL)ETHENYL)6METHOXYPHENOXY)ACETICACID
COC1=CC=CC(=C1OCC(=O)O)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O
COc1cccc(c1OCC(=O)O)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O)
InChI=1SC15H13N3O8c12594238(13(9)26711(19)20)56101614(21)12(18(23)24)15(22)1710h26H7H21H3(H1920)(H216172122)b65+
MFCD06017026
ZINC000012371660
ZINC12371660
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