Vitas-M small molecule compound
ethyl 3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate
Catalog ID
STL252245
SMILES CCOC(=O)CC(c1oc(CO)cc(=O)c1O)c1cnn(c1C)CC
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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 C17H22N2O6 MW 350.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N2O6/c1-4-19-10(3)13(8-18-19)12(7-15(22)24-5-2)17-16(23)14(21)6-11(9-20)25-17/h6,8,12,20,23H,4-5,7,9H2,1-3H3InChIKey
OISQCDOUSVGDKI-UHFFFAOYSA-NSynonyms
1351686-81-11351686811
CCN1C(=C(C=N1)C(CC(=O)OCC)C2=C(C(=O)C=C(O2)CO)O)C
ethyl3(1ethyl5methyl1Hpyrazol4yl)3(3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)propanoate
ethyl3(1ethyl5methylpyrazol4yl)3(3hydroxy6(hydroxymethyl)4oxopyran2yl)propanoate
InChI=1SC17H22N2O6c141910(3)13(81819)12(715(22)2452)1716(23)14(21)611(920)2517h68122023H4579H213H3
MFCD20535736
ZINC000072400327
ZINC000072400328
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