Vitas-M small molecule compound

2-[(E)-2-{3-ethoxy-4-[2-oxo-2-(pyrrolidin-1-yl)ethoxy]phenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one

Catalog ID
STL416602
SMILES CCOc1cc(ccc1OCC(=O)N1CCCC1)/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 C20H22N4O7 MW 430.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O7/c1-2-30-15-11-13(5-7-14(15)31-12-17(25)23-9-3-4-10-23)6-8-16-21-19(26)18(24(28)29)20(27)22-16/h5-8,11H,2-4,9-10,12H2,1H3,(H2,21,22,26,27)/b8-6+
InChIKey
HESCEDCXXDIULS-SOFGYWHQSA-N
Synonyms

2((E)2(3ethoxy4(2oxo2(pyrrolidin1yl)ethoxy)phenyl)ethenyl)6hydroxy5nitropyrimidin4(3H)one
2((E)2(3ethoxy4(2oxo2pyrrolidin1ylethoxy)phenyl)ethenyl)4hydroxy5nitro1Hpyrimidin6one
CCOC1=C(C=CC(=C1)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O)OCC(=O)N3CCCC3
CCOc1cc(ccc1OCC(=O)N1CCCC1)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O)
InChI=1SC20H22N4O7c1230151113(5714(15)311217(25)239341023)68162119(26)18(24(28)29)20(27)2216h5811H2491012H21H3(H221222627)b86+
MFCD07178697
ZINC000016688904
ZINC16688904

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Available files

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