Vitas-M small molecule compound
methyl 4-hydroxy-5-[3-methoxy-3-oxo-1-(5-phenyl-1H-pyrazol-4-yl)propyl]-6-oxo-1,6-dihydropyridine-3-carboxylate
Catalog ID
STL423082
SMILES COC(=O)CC(c1cn[nH]c1c1ccccc1)c1c(=O)[nH]cc(c1O)C(=O)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 C20H19N3O6 MW 397.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O6/c1-28-15(24)8-12(13-10-22-23-17(13)11-6-4-3-5-7-11)16-18(25)14(20(27)29-2)9-21-19(16)26/h3-7,9-10,12H,8H2,1-2H3,(H,22,23)(H2,21,25,26)InChIKey
HIQFPNHCPADQBA-UHFFFAOYSA-NSynonyms
COC(=O)CC(C1=C(NN=C1)C2=CC=CC=C2)C3=C(C(=CNC3=O)C(=O)OC)O
COC(=O)CC(c1c(=O)(nH)cc(c1O)C(=O)OC)c1c(nH)nc1c1ccccc1
COC(=O)CC(c1cn(nH)c1c1ccccc1)c1c(=O)(nH)cc(c1O)C(=O)OC
InChI=1SC20H19N3O6c12815(24)812(1310222317(13)116435711)1618(25)14(20(27)292)92119(16)26h3791012H8H212H3(H2223)(H2212526)
methyl4hydroxy5(3methoxy3oxo1(3phenyl1Hpyrazol4yl)propyl)6oxo16dihydropyridine3carboxylate
methyl4hydroxy5(3methoxy3oxo1(5phenyl1Hpyrazol4yl)propyl)6oxo16dihydropyridine3carboxylate
methyl4hydroxy5(3methoxy3oxo1(5phenyl1Hpyrazol4yl)propyl)6oxo1Hpyridine3carboxylate
MFCD30708541
ZINC000253496391
ZINC000253496392
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