Vitas-M small molecule compound
methyl 3-{3-hydroxy-4-oxo-6-[(phenylsulfanyl)methyl]-4H-pyran-2-yl}-3-(thiophen-2-yl)propanoate
Catalog ID
STL309661
SMILES COC(=O)CC(c1oc(CSc2ccccc2)cc(=O)c1O)c1cccs1
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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 C20H18O5S2 MW 402.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18O5S2/c1-24-18(22)11-15(17-8-5-9-26-17)20-19(23)16(21)10-13(25-20)12-27-14-6-3-2-4-7-14/h2-10,15,23H,11-12H2,1H3InChIKey
XUIMXRSPFRAFTG-UHFFFAOYSA-NSynonyms
1435999-52-21435999522
COC(=O)CC(C1=CC=CS1)C2=C(C(=O)C=C(O2)CSC3=CC=CC=C3)O
InChI=1SC20H18O5S2c12418(22)1115(178592617)2019(23)16(21)1013(2520)1227146324714h2101523H1112H21H3
methyl3(3hydroxy4oxo6((phenylsulfanyl)methyl)4Hpyran2yl)3(thiophen2yl)propanoate
methyl3(3hydroxy4oxo6((phenylthio)methyl)4Hpyran2yl)3(thiophen2yl)propanoate
methyl3(3hydroxy4oxo6(phenylsulfanylmethyl)pyran2yl)3thiophen2ylpropanoate
MFCD23139274
ZINC000095472764
ZINC000095472765
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