Vitas-M small molecule compound
5-ethynyl-4-hydroxy-1-pentofuranosylpyrimidin-2(1H)-one
Catalog ID
STL435969
SMILES OCC1OC(C(C1O)O)n1cc(C#C)c(nc1=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 C11H12N2O6 MW 268.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H12N2O6/c1-2-5-3-13(11(18)12-9(5)17)10-8(16)7(15)6(4-14)19-10/h1,3,6-8,10,14-16H,4H2,(H,12,17,18)InChIKey
QCWBIPKYTBFWHH-UHFFFAOYSA-NSynonyms
1(34dihydroxy5(hydroxymethyl)oxolan2yl)5ethynylpyrimidine24dione
5ethynyl4hydroxy1pentofuranosylpyrimidin2(1H)one
C#CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O
InChI=1SC11H12N2O6c125313(11(18)129(5)17)108(16)7(15)6(414)1910h1368101416H4H2(H121718)
MFCD30711876
ZINC000003781304
ZINC000044062849
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