Vitas-M small molecule compound
ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(5-phenyl-1H-pyrazol-4-yl)propanoate
Catalog ID
STL246722
SMILES CCOC(=O)CC(c1oc(CO)cc(=O)c1O)c1cn[nH]c1c1ccccc1
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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 C20H20N2O6 MW 384.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O6/c1-2-27-17(25)9-14(20-19(26)16(24)8-13(11-23)28-20)15-10-21-22-18(15)12-6-4-3-5-7-12/h3-8,10,14,23,26H,2,9,11H2,1H3,(H,21,22)InChIKey
CQIQZTIFYNVGKJ-UHFFFAOYSA-NSynonyms
1324078-63-81324078638
CCOC(=O)CC(C1=C(NN=C1)C2=CC=CC=C2)C3=C(C(=O)C=C(O3)CO)O
CCOC(=O)CC(c1oc(CO)cc(=O)c1O)c1c(nH)nc1c1ccccc1
CCOC(=O)CC(c1oc(CO)cc(=O)c1O)c1cn(nH)c1c1ccccc1
ethyl3(3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)3(3phenyl1Hpyrazol4yl)propanoate
ethyl3(3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)3(5phenyl1Hpyrazol4yl)propanoate
ethyl3(3hydroxy6(hydroxymethyl)4oxopyran2yl)3(5phenyl1Hpyrazol4yl)propanoate
InChI=1SC20H20N2O6c122717(25)914(2019(26)16(24)813(1123)2820)1510212218(15)126435712h3810142326H2911H21H3(H2122)
MFCD24860645
ZINC000071284909
ZINC000071284910
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