Vitas-M small molecule compound
2-({2-chloro-4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]-6-methoxyphenoxy}methyl)benzonitrile
Catalog ID
STK255879
SMILES COc1cc(/C=C/c2nc(O)c(c(=O)[nH]2)[N+](=O)[O-])cc(c1OCc1ccccc1C#N)Cl
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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 C21H15ClN4O6 MW 454.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15ClN4O6/c1-31-16-9-12(6-7-17-24-20(27)18(26(29)30)21(28)25-17)8-15(22)19(16)32-11-14-5-3-2-4-13(14)10-23/h2-9H,11H2,1H3,(H2,24,25,27,28)/b7-6+InChIKey
NZWOMNGMHNCMAJ-VOTSOKGWSA-NSynonyms
2((2chloro4((E)2(4hydroxy5nitro6oxo16dihydropyrimidin2yl)ethenyl)6methoxyphenoxy)methyl)benzonitrile
2((2chloro4((E)2(4hydroxy5nitro6oxo1Hpyrimidin2yl)ethenyl)6methoxyphenoxy)methyl)benzonitrile
COC1=C(C(=CC(=C1)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O)Cl)OCC3=CC=CC=C3C#N
COc1cc(C=Cc2nc(O)c(c(=O)(nH)2)(N+)(=O)(O))cc(c1OCc1ccccc1C#N)Cl
InChI=1SC21H15ClN4O6c13116912(67172420(27)18(26(29)30)21(28)2517)815(22)19(16)321114532413(14)1023h29H11H21H3(H224252728)b76+
MFCD08680787
ZINC9295542
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