Vitas-M small molecule compound
6-hydroxy-2-{(E)-2-[2-(naphthalen-2-ylmethoxy)phenyl]ethenyl}-5-nitropyrimidin-4(3H)-one
Catalog ID
STK255878
SMILES [O-][N+](=O)c1c(O)nc([nH]c1=O)/C=C/c1ccccc1OCc1ccc2c(c1)cccc2
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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 C23H17N3O5 MW 415.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O5/c27-22-21(26(29)30)23(28)25-20(24-22)12-11-17-6-3-4-8-19(17)31-14-15-9-10-16-5-1-2-7-18(16)13-15/h1-13H,14H2,(H2,24,25,27,28)/b12-11+InChIKey
AUILHTFAEYAOOQ-VAWYXSNFSA-NSynonyms
(O)(N+)(=O)c1c(O)nc((nH)c1=O)C=Cc1ccccc1OCc1ccc2c(c1)cccc2
4hydroxy2((E)2(2(naphthalen2ylmethoxy)phenyl)ethenyl)5nitro1Hpyrimidin6one
6hydroxy2((E)2(2(naphthalen2ylmethoxy)phenyl)ethenyl)5nitropyrimidin4(3H)one
C1=CC=C2C=C(C=CC2=C1)COC3=CC=CC=C3C=CC4=NC(=C(C(=O)N4)(N+)(=O)(O))O
InChI=1SC23H17N3O5c272221(26(29)30)23(28)2520(2422)121117634819(17)31141591016512718(16)1315h113H14H2(H224252728)b1211+
MFCD08680786
ZINC9295543
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