Vitas-M small molecule compound
methyl {2-[(Z)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]-6-methoxyphenoxy}acetate
Catalog ID
STL359749
SMILES COC(=O)COc1c(cccc1OC)/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 C16H15N3O8 MW 377.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O8/c1-25-10-5-3-4-9(14(10)27-8-12(20)26-2)6-7-11-17-15(21)13(19(23)24)16(22)18-11/h3-7H,8H2,1-2H3,(H2,17,18,21,22)/b7-6-InChIKey
DXFBYSIZBWSRJE-SREVYHEPSA-NSynonyms
COC(=O)COc1c(cccc1OC)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O)
COC1=CC=CC(=C1OCC(=O)OC)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O
InChI=1SC16H15N3O8c125105349(14(10)27812(20)262)67111715(21)13(19(23)24)16(22)1811h37H8H212H3(H217182122)b76
methyl(2((Z)2(4hydroxy5nitro6oxo16dihydropyrimidin2yl)ethenyl)6methoxyphenoxy)acetate
METHYL(2(2(4HYDROXY5NITRO6OXO16DIHYDRO2PYRIMIDINYL)VINYL)6METHOXYPHENOXY)ACETATE
METHYL2(2((Z)2(4HYDROXY5NITRO6OXO1HPYRIMIDIN2YL)ETHENYL)6METHOXYPHENOXY)ACETATE
MFCD06627417
ZINC000013124550
ZINC13124550
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