Vitas-M small molecule compound
ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]propanoate
Catalog ID
STL245347
SMILES CCOC(=O)CC(c1oc(CO)cc(=O)c1O)c1cn[nH]c1c1ccc(cc1)OC
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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 C21H22N2O7 MW 414.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O7/c1-3-29-18(26)9-15(21-20(27)17(25)8-14(11-24)30-21)16-10-22-23-19(16)12-4-6-13(28-2)7-5-12/h4-8,10,15,24,27H,3,9,11H2,1-2H3,(H,22,23)InChIKey
SVFDEZMEHUIHEA-UHFFFAOYSA-NSynonyms
1324070-05-41324070054
CCOC(=O)CC(C1=C(NN=C1)C2=CC=C(C=C2)OC)C3=C(C(=O)C=C(O3)CO)O
CCOC(=O)CC(c1oc(CO)cc(=O)c1O)c1c(nH)nc1c1ccc(cc1)OC
CCOC(=O)CC(c1oc(CO)cc(=O)c1O)c1cn(nH)c1c1ccc(cc1)OC
ethyl3(3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)3(3(4methoxyphenyl)1Hpyrazol4yl)propanoate
ethyl3(3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)3(5(4methoxyphenyl)1Hpyrazol4yl)propanoate
ethyl3(3hydroxy6(hydroxymethyl)4oxopyran2yl)3(5(4methoxyphenyl)1Hpyrazol4yl)propanoate
InChI=1SC21H22N2O7c132918(26)915(2120(27)17(25)814(1124)3021)1610222319(16)124613(282)7512h4810152427H3911H212H3(H2223)
MFCD24860236
ZINC000071284337
ZINC000071284338
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