Vitas-M small molecule compound
2-{(E)-2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethenyl}-5-nitropyrimidine-4,6-diol
Catalog ID
STK615794
SMILES Fc1ccc(cc1)n1c(C)cc(c1C)/C=C/c1nc(O)c(c(n1)O)[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 C18H15FN4O4 MW 370.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15FN4O4/c1-10-9-12(11(2)22(10)14-6-4-13(19)5-7-14)3-8-15-20-17(24)16(23(26)27)18(25)21-15/h3-9H,1-2H3,(H2,20,21,24,25)/b8-3+InChIKey
RSIYQFOQUWGZRI-FPYGCLRLSA-NSynonyms
872546-23-12((E)2(1(4fluorophenyl)25dimethyl1Hpyrrol3yl)ethenyl)5nitropyrimidine46diol
2((E)2(1(4FLUOROPHENYL)25DIMETHYLPYRROL3YL)ETHENYL)4HYDROXY5NITRO1HPYRIMIDIN6ONE
CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C=CC3=NC(=C(C(=O)N3)(N+)(=O)(O))O
Fc1ccc(cc1)n1c(C)cc(c1C)C=Cc1nc(O)c(c(n1)O)(N+)(=O)(O)
InChI=1SC18H15FN4O4c110912(11(2)22(10)146413(19)5714)38152017(24)16(23(26)27)18(25)2115h39H12H3(H220212425)b83+
MFCD08732913
ZINC000009235228
ZINC9235228
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