Vitas-M small molecule compound
2-[(E)-2-{3-bromo-4-[(4-chlorobenzyl)oxy]-5-methoxyphenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
Catalog ID
STK296523
SMILES COc1cc(/C=C/c2nc(O)c(c(=O)[nH]2)[N+](=O)[O-])cc(c1OCc1ccc(cc1)Cl)Br
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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 C20H15BrClN3O6 MW 508.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrClN3O6/c1-30-15-9-12(4-7-16-23-19(26)17(25(28)29)20(27)24-16)8-14(21)18(15)31-10-11-2-5-13(22)6-3-11/h2-9H,10H2,1H3,(H2,23,24,26,27)/b7-4+InChIKey
CBBGNWRHVYDJGL-QPJJXVBHSA-NSynonyms
2((E)2(3bromo4((4chlorobenzyl)oxy)5methoxyphenyl)ethenyl)6hydroxy5nitropyrimidin4(3H)one
2((E)2(3bromo4((4chlorophenyl)methoxy)5methoxyphenyl)ethenyl)4hydroxy5nitro1Hpyrimidin6one
COC1=C(C(=CC(=C1)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O)Br)OCC3=CC=C(C=C3)Cl
COc1cc(C=Cc2nc(O)c(c(=O)(nH)2)(N+)(=O)(O))cc(c1OCc1ccc(cc1)Cl)Br
InChI=1SC20H15BrClN3O6c13015912(47162319(26)17(25(28)29)20(27)2416)814(21)18(15)3110112513(22)6311h29H10H21H3(H223242627)b74+
MFCD09960649
ZINC000013955258
ZINC13955258
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