Vitas-M small molecule compound
2-[(E)-2-{3-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
Catalog ID
STL358754
SMILES CCOc1cc(ccc1OCc1ccccc1F)/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 C21H18FN3O6 MW 427.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18FN3O6/c1-2-30-17-11-13(7-9-16(17)31-12-14-5-3-4-6-15(14)22)8-10-18-23-20(26)19(25(28)29)21(27)24-18/h3-11H,2,12H2,1H3,(H2,23,24,26,27)/b10-8+InChIKey
XJASSMYUYBQZJG-CSKARUKUSA-NSynonyms
2((E)2(3ethoxy4((2fluorobenzyl)oxy)phenyl)ethenyl)6hydroxy5nitropyrimidin4(3H)one
2((E)2(3ETHOXY4((2FLUOROPHENYL)METHOXY)PHENYL)ETHENYL)4HYDROXY5NITRO1HPYRIMIDIN6ONE
CCOC1=C(C=CC(=C1)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O)OCC3=CC=CC=C3F
CCOc1cc(ccc1OCc1ccccc1F)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O)
InChI=1SC21H18FN3O6c1230171113(7916(17)311214534615(14)22)810182320(26)19(25(28)29)21(27)2418h311H212H21H3(H223242627)b108+
MFCD07037487
ZINC000015009310
ZINC15009310
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