Vitas-M small molecule compound

methyl 3-{3-hydroxy-4-oxo-6-[(phenylsulfanyl)methyl]-4H-pyran-2-yl}-3-(quinolin-6-yl)propanoate

Catalog ID
STL311269
SMILES COC(=O)CC(c1oc(CSc2ccccc2)cc(=O)c1O)c1ccc2c(c1)cccn2

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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 C25H21NO5S MW 447.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21NO5S/c1-30-23(28)14-20(16-9-10-21-17(12-16)6-5-11-26-21)25-24(29)22(27)13-18(31-25)15-32-19-7-3-2-4-8-19/h2-13,20,29H,14-15H2,1H3
InChIKey
BKJIUWRFJZCQAD-UHFFFAOYSA-N
Synonyms
1435996-72-7
1435996727
COC(=O)CC(C1=CC2=C(C=C1)N=CC=C2)C3=C(C(=O)C=C(O3)CSC4=CC=CC=C4)O
InChI=1SC25H21NO5Sc13023(28)1420(169102117(1216)65112621)2524(29)22(27)1318(3125)1532197324819h2132029H1415H21H3
methyl3(3hydroxy4oxo6((phenylsulfanyl)methyl)4Hpyran2yl)3(quinolin6yl)propanoate
methyl3(3hydroxy4oxo6((phenylthio)methyl)4Hpyran2yl)3(quinolin6yl)propanoate
methyl3(3hydroxy4oxo6(phenylsulfanylmethyl)pyran2yl)3quinolin6ylpropanoate
MFCD23139400
ZINC000095473943
ZINC000095473944

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Available files

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