Vitas-M small molecule compound
2-[(E)-2-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}ethenyl]-5-nitropyrimidine-4,6-diol
Catalog ID
STK606705
SMILES [O-][N+](=O)c1c(O)nc(nc1O)/C=C/c1cc(n(c1C)c1cccc(c1)C(F)(F)F)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 C19H15F3N4O4 MW 420.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15F3N4O4/c1-10-8-12(6-7-15-23-17(27)16(26(29)30)18(28)24-15)11(2)25(10)14-5-3-4-13(9-14)19(20,21)22/h3-9H,1-2H3,(H2,23,24,27,28)/b7-6+InChIKey
UVQMSHDTHQEJNE-VOTSOKGWSA-NSynonyms
708290-69-1(O)(N+)(=O)c1c(O)nc(nc1O)C=Cc1cc(n(c1C)c1cccc(c1)C(F)(F)F)C
2((E)2(25dimethyl1(3(trifluoromethyl)phenyl)1Hpyrrol3yl)ethenyl)5nitropyrimidine46diol
2((E)2(25DIMETHYL1(3(TRIFLUOROMETHYL)PHENYL)PYRROL3YL)ETHENYL)4HYDROXY5NITRO1HPYRIMIDIN6ONE
CC1=CC(=C(N1C2=CC=CC(=C2)C(F)(F)F)C)C=CC3=NC(=C(C(=O)N3)(N+)(=O)(O))O
InChI=1SC19H15F3N4O4c110812(67152317(27)16(26(29)30)18(28)2415)11(2)25(10)1453413(914)19(2021)22h39H12H3(H223242728)b76+
MFCD08732057
ZINC9186336
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