Vitas-M small molecule compound
2-[(E)-2-{2,5-dimethyl-1-[4-(morpholin-4-yl)phenyl]-1H-pyrrol-3-yl}ethenyl]-5-nitropyrimidine-4,6-diol
Catalog ID
STK606262
SMILES [O-][N+](=O)c1c(O)nc(nc1O)/C=C/c1cc(n(c1C)c1ccc(cc1)N1CCOCC1)C
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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 C22H23N5O5 MW 437.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O5/c1-14-13-16(3-8-19-23-21(28)20(27(30)31)22(29)24-19)15(2)26(14)18-6-4-17(5-7-18)25-9-11-32-12-10-25/h3-8,13H,9-12H2,1-2H3,(H2,23,24,28,29)/b8-3+InChIKey
OIMQNDRZOOGJLX-FPYGCLRLSA-NSynonyms
872546-24-2(O)(N+)(=O)c1c(O)nc(nc1O)C=Cc1cc(n(c1C)c1ccc(cc1)N1CCOCC1)C
2((E)2(25dimethyl1(4(morpholin4yl)phenyl)1Hpyrrol3yl)ethenyl)5nitropyrimidine46diol
2((E)2(25DIMETHYL1(4MORPHOLIN4YLPHENYL)PYRROL3YL)ETHENYL)4HYDROXY5NITRO1HPYRIMIDIN6ONE
CC1=CC(=C(N1C2=CC=C(C=C2)N3CCOCC3)C)C=CC4=NC(=C(C(=O)N4)(N+)(=O)(O))O
InChI=1SC22H23N5O5c1141316(38192321(28)20(27(30)31)22(29)2419)15(2)26(14)186417(5718)2591132121025h3813H912H212H3(H223242829)b83+
MFCD08729559
ZINC9235230
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