Vitas-M small molecule compound
methyl 3-{3-hydroxy-4-oxo-6-[(phenylsulfanyl)methyl]-4H-pyran-2-yl}-3-(1-methyl-1H-pyrazol-5-yl)propanoate
Catalog ID
STL320517
SMILES COC(=O)CC(c1ccnn1C)c1oc(CSc2ccccc2)cc(=O)c1O
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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/c1-22-16(8-9-21-22)15(11-18(24)26-2)20-19(25)17(23)10-13(27-20)12-28-14-6-4-3-5-7-14/h3-10,15,25H,11-12H2,1-2H3InChIKey
VKDKKDHXWNRQOO-UHFFFAOYSA-NSynonyms
1435983-12-21435983122
CN1C(=CC=N1)C(CC(=O)OC)C2=C(C(=O)C=C(O2)CSC3=CC=CC=C3)O
InChI=1SC20H20N2O5Sc12216(892122)15(1118(24)262)2019(25)17(23)1013(2720)1228146435714h3101525H1112H212H3
methyl3(3hydroxy4oxo6((phenylsulfanyl)methyl)4Hpyran2yl)3(1methyl1Hpyrazol5yl)propanoate
methyl3(3hydroxy4oxo6((phenylthio)methyl)4Hpyran2yl)3(1methyl1Hpyrazol5yl)propanoate
methyl3(3hydroxy4oxo6(phenylsulfanylmethyl)pyran2yl)3(2methylpyrazol3yl)propanoate
MFCD23138894
ZINC000095480865
ZINC000095480866
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