Vitas-M small molecule compound
2-({2-ethoxy-4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]phenoxy}methyl)benzonitrile
Catalog ID
STL358750
SMILES CCOc1cc(ccc1OCc1ccccc1C#N)/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 C22H18N4O6 MW 434.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O6/c1-2-31-18-11-14(8-10-19-24-21(27)20(26(29)30)22(28)25-19)7-9-17(18)32-13-16-6-4-3-5-15(16)12-23/h3-11H,2,13H2,1H3,(H2,24,25,27,28)/b10-8+InChIKey
VKWULMGARNJBDR-CSKARUKUSA-NSynonyms
2((2ethoxy4((E)2(4hydroxy5nitro6oxo16dihydropyrimidin2yl)ethenyl)phenoxy)methyl)benzonitrile
2((2ETHOXY4((E)2(4HYDROXY5NITRO6OXO1HPYRIMIDIN2YL)ETHENYL)PHENOXY)METHYL)BENZONITRILE
CCOC1=C(C=CC(=C1)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O)OCC3=CC=CC=C3C#N
CCOc1cc(ccc1OCc1ccccc1C#N)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O)
InChI=1SC22H18N4O6c1231181114(810192421(27)20(26(29)30)22(28)2519)7917(18)321316643515(16)1223h311H213H21H3(H224252728)b108+
MFCD06150491
ZINC000009234767
ZINC9234767
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