Vitas-M small molecule compound
2-{(E)-2-[2-(benzyloxy)-5-bromophenyl]ethenyl}-6-hydroxy-5-nitropyrimidin-4(3H)-one
Catalog ID
STK255865
SMILES Brc1ccc(c(c1)/C=C/c1nc(O)c(c(=O)[nH]1)[N+](=O)[O-])OCc1ccccc1
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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 C19H14BrN3O5 MW 444.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14BrN3O5/c20-14-7-8-15(28-11-12-4-2-1-3-5-12)13(10-14)6-9-16-21-18(24)17(23(26)27)19(25)22-16/h1-10H,11H2,(H2,21,22,24,25)/b9-6+InChIKey
AYZALVJXUCNBQI-RMKNXTFCSA-NSynonyms
2((E)2(2(benzyloxy)5bromophenyl)ethenyl)6hydroxy5nitropyrimidin4(3H)one
2((E)2(5bromo2phenylmethoxyphenyl)ethenyl)4hydroxy5nitro1Hpyrimidin6one
Brc1ccc(c(c1)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O))OCc1ccccc1
C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C=CC3=NC(=C(C(=O)N3)(N+)(=O)(O))O
InChI=1SC19H14BrN3O5c20147815(2811124213512)13(1014)69162118(24)17(23(26)27)19(25)2216h110H11H2(H221222425)b96+
MFCD08680773
ZINC9295544
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