Vitas-M small molecule compound
6-[(E)-2-{3-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}ethenyl]-5-nitropyrimidine-2,4-diol
Catalog ID
STL367281
SMILES CCOc1cc(ccc1OCc1ccccc1F)/C=C/c1nc(O)nc(c1[N+](=O)[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 C21H18FN3O6 MW 427.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18FN3O6/c1-2-30-18-11-13(7-9-16-19(25(28)29)20(26)24-21(27)23-16)8-10-17(18)31-12-14-5-3-4-6-15(14)22/h3-11H,2,12H2,1H3,(H2,23,24,26,27)/b9-7+InChIKey
IXWXROPKLXCRBQ-VQHVLOKHSA-NSynonyms
6((E)2(3ethoxy4((2fluorobenzyl)oxy)phenyl)ethenyl)5nitropyrimidine24diol
6((E)2(3ETHOXY4((2FLUOROPHENYL)METHOXY)PHENYL)ETHENYL)5NITRO1HPYRIMIDINE24DIONE
CCOc1cc(ccc1OCc1ccccc1F)C=Cc1nc(O)nc(c1(N+)(=O)(O))O
InChI=1SC21H18FN3O6c1230181113(791619(25(28)29)20(26)2421(27)2316)81017(18)311214534615(14)22h311H212H21H3(H223242627)b97+
MFCD28951712
ZINC000006600657
ZINC6600657
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