Vitas-M small molecule compound
methyl 3-{3-hydroxy-4-oxo-6-[(phenylsulfanyl)methyl]-4H-pyran-2-yl}-3-(1-methyl-1H-pyrazol-4-yl)propanoate
Catalog ID
STL318298
SMILES COC(=O)CC(c1oc(CSc2ccccc2)cc(=O)c1O)c1cnn(c1)C
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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 C20H20N2O5S MW 400.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O5S/c1-22-11-13(10-21-22)16(9-18(24)26-2)20-19(25)17(23)8-14(27-20)12-28-15-6-4-3-5-7-15/h3-8,10-11,16,25H,9,12H2,1-2H3InChIKey
PFSOLXPJEPQKQE-UHFFFAOYSA-NSynonyms
1436001-17-01436001170
CN1C=C(C=N1)C(CC(=O)OC)C2=C(C(=O)C=C(O2)CSC3=CC=CC=C3)O
InChI=1SC20H20N2O5Sc1221113(102122)16(918(24)262)2019(25)17(23)814(2720)1228156435715h3810111625H912H212H3
methyl3(3hydroxy4oxo6((phenylsulfanyl)methyl)4Hpyran2yl)3(1methyl1Hpyrazol4yl)propanoate
methyl3(3hydroxy4oxo6((phenylthio)methyl)4Hpyran2yl)3(1methyl1Hpyrazol4yl)propanoate
methyl3(3hydroxy4oxo6(phenylsulfanylmethyl)pyran2yl)3(1methylpyrazol4yl)propanoate
MFCD23137267
ZINC000095479185
ZINC000095479186
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