Vitas-M small molecule compound
2-{(Z)-2-[4-(benzyloxy)-3-bromophenyl]ethenyl}-6-hydroxy-5-nitropyrimidin-4(3H)-one
Catalog ID
STK255862
SMILES Brc1cc(ccc1OCc1ccccc1)/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 C19H14BrN3O5 MW 444.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14BrN3O5/c20-14-10-12(6-8-15(14)28-11-13-4-2-1-3-5-13)7-9-16-21-18(24)17(23(26)27)19(25)22-16/h1-10H,11H2,(H2,21,22,24,25)/b9-7-InChIKey
RHUPUGDGCMCQJK-CLFYSBASSA-NSynonyms
2((Z)2(3bromo4phenylmethoxyphenyl)ethenyl)4hydroxy5nitro1Hpyrimidin6one
2((Z)2(4(benzyloxy)3bromophenyl)ethenyl)6hydroxy5nitropyrimidin4(3H)one
Brc1cc(ccc1OCc1ccccc1)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O)
C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=CC3=NC(=C(C(=O)N3)(N+)(=O)(O))O)Br
InChI=1SC19H14BrN3O5c20141012(6815(14)2811134213513)79162118(24)17(23(26)27)19(25)2216h110H11H2(H221222425)b97
MFCD08680770
ZINC000009355180
ZINC09355180
ZINC9355180
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