Vitas-M small molecule compound
methyl 3-{3-hydroxy-4-oxo-6-[(phenylsulfanyl)methyl]-4H-pyran-2-yl}-3-[1-(propan-2-yl)-1H-pyrazol-5-yl]propanoate
Catalog ID
STL314794
SMILES COC(=O)CC(c1ccnn1C(C)C)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 C22H24N2O5S MW 428.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O5S/c1-14(2)24-18(9-10-23-24)17(12-20(26)28-3)22-21(27)19(25)11-15(29-22)13-30-16-7-5-4-6-8-16/h4-11,14,17,27H,12-13H2,1-3H3InChIKey
DSICCJOYROZOLV-UHFFFAOYSA-NSynonyms
1436003-29-01436003290
CC(C)N1C(=CC=N1)C(CC(=O)OC)C2=C(C(=O)C=C(O2)CSC3=CC=CC=C3)O
InChI=1SC22H24N2O5Sc114(2)2418(9102324)17(1220(26)283)2221(27)19(25)1115(2922)1330167546816h411141727H1213H213H3
methyl3(3hydroxy4oxo6((phenylsulfanyl)methyl)4Hpyran2yl)3(1(propan2yl)1Hpyrazol5yl)propanoate
methyl3(3hydroxy4oxo6((phenylthio)methyl)4Hpyran2yl)3(1isopropyl1Hpyrazol5yl)propanoate
methyl3(3hydroxy4oxo6(phenylsulfanylmethyl)pyran2yl)3(2propan2ylpyrazol3yl)propanoate
MFCD23139193
ZINC000095476579
ZINC000095476580
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