Vitas-M small molecule compound
2-[(E)-2-{3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
Catalog ID
STL294469
SMILES CCOc1cc(ccc1OCCOc1ccccc1OC)/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 C23H23N3O8 MW 469.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O8/c1-3-32-19-14-15(9-11-20-24-22(27)21(26(29)30)23(28)25-20)8-10-18(19)34-13-12-33-17-7-5-4-6-16(17)31-2/h4-11,14H,3,12-13H2,1-2H3,(H2,24,25,27,28)/b11-9+InChIKey
LZJLKSXTBOKDGA-PKNBQFBNSA-NSynonyms
2((E)2(3ethoxy4(2(2methoxyphenoxy)ethoxy)phenyl)ethenyl)4hydroxy5nitro1Hpyrimidin6one
2((E)2(3ethoxy4(2(2methoxyphenoxy)ethoxy)phenyl)ethenyl)6hydroxy5nitropyrimidin4(3H)one
CCOC1=C(C=CC(=C1)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O)OCCOC3=CC=CC=C3OC
CCOc1cc(ccc1OCCOc1ccccc1OC)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O)
InChI=1SC23H23N3O8c1332191415(911202422(27)21(26(29)30)23(28)2520)81018(19)3413123317754616(17)312h41114H31213H212H3(H224252728)b119+
MFCD14279718
ZINC000015019325
ZINC15019325
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