Vitas-M small molecule compound
2-{(E)-2-[4-(difluoromethoxy)-3-methoxyphenyl]ethenyl}-6-hydroxy-5-nitropyrimidin-4(3H)-one
Catalog ID
STL297416
SMILES COc1cc(/C=C/c2nc(O)c(c(=O)[nH]2)[N+](=O)[O-])ccc1OC(F)F
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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 C14H11F2N3O6 MW 355.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11F2N3O6/c1-24-9-6-7(2-4-8(9)25-14(15)16)3-5-10-17-12(20)11(19(22)23)13(21)18-10/h2-6,14H,1H3,(H2,17,18,20,21)/b5-3+InChIKey
MTDCVKXROMUSJX-HWKANZROSA-NSynonyms
2((E)2(4(DIFLUOROMETHOXY)3METHOXYPHENYL)ETHENYL)4HYDROXY5NITRO1HPYRIMIDIN6ONE
2((E)2(4(difluoromethoxy)3methoxyphenyl)ethenyl)6hydroxy5nitropyrimidin4(3H)one
COC1=C(C=CC(=C1)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O)OC(F)F
COc1cc(C=Cc2nc(O)c(c(=O)(nH)2)(N+)(=O)(O))ccc1OC(F)F
InChI=1SC14H11F2N3O6c124967(248(9)2514(15)16)35101712(20)11(19(22)23)13(21)1810h2614H1H3(H217182021)b53+
MFCD06621360
ZINC000009235257
ZINC9235257
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