Vitas-M small molecule compound

methyl 3-(6-{[(4-fluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(1-methyl-1H-pyrazol-5-yl)propanoate

Catalog ID
STL318368
SMILES COC(=O)CC(c1oc(CSc2ccc(cc2)F)cc(=O)c1O)c1ccnn1C

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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 C20H19FN2O5S MW 418.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19FN2O5S/c1-23-16(7-8-22-23)15(10-18(25)27-2)20-19(26)17(24)9-13(28-20)11-29-14-5-3-12(21)4-6-14/h3-9,15,26H,10-11H2,1-2H3
InChIKey
PMYDBSKIRNLIDM-UHFFFAOYSA-N
Synonyms
1574485-21-4
1574485214
CN1C(=CC=N1)C(CC(=O)OC)C2=C(C(=O)C=C(O2)CSC3=CC=C(C=C3)F)O
InChI=1SC20H19FN2O5Sc12316(782223)15(1018(25)272)2019(26)17(24)913(2820)1129145312(21)4614h391526H1011H212H3
methyl3(6(((4fluorophenyl)sulfanyl)methyl)3hydroxy4oxo4Hpyran2yl)3(1methyl1Hpyrazol5yl)propanoate
methyl3(6(((4fluorophenyl)thio)methyl)3hydroxy4oxo4Hpyran2yl)3(1methyl1Hpyrazol5yl)propanoate
methyl3(6((4fluorophenyl)sulfanylmethyl)3hydroxy4oxopyran2yl)3(2methylpyrazol3yl)propanoate
MFCD28031242
ZINC000095479240
ZINC000095479241

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Available files

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