Vitas-M small molecule compound
2-[(E)-2-(3-ethoxy-4-propoxyphenyl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
Catalog ID
STL358743
SMILES CCCOc1ccc(cc1OCC)/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 C17H19N3O6 MW 361.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O6/c1-3-9-26-12-7-5-11(10-13(12)25-4-2)6-8-14-18-16(21)15(20(23)24)17(22)19-14/h5-8,10H,3-4,9H2,1-2H3,(H2,18,19,21,22)/b8-6+InChIKey
RZSAJVQBRWRKDO-SOFGYWHQSA-NSynonyms
797779-27-22((1E)2(3ETHOXY4PROPOXYPHENYL)VINYL)6HYDROXY5NITRO3HYDROPYRIMIDIN4ONE
2((E)2(3ETHOXY4PROPOXYPHENYL)ETHENYL)4HYDROXY5NITRO1HPYRIMIDIN6ONE
2((E)2(3ethoxy4propoxyphenyl)ethenyl)6hydroxy5nitropyrimidin4(3H)one
797779272
CCCOC1=C(C=C(C=C1)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O)OCC
CCCOc1ccc(cc1OCC)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O)
InChI=1SC17H19N3O6c13926127511(1013(12)2542)68141816(21)15(20(23)24)17(22)1914h5810H349H212H3(H218192122)b86+
MFCD06010620
ZINC000009234901
ZINC9234901
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