Vitas-M small molecule compound
methyl 3-(6-{[(4-fluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(pyridin-3-yl)propanoate
Catalog ID
STL310954
SMILES COC(=O)CC(c1oc(CSc2ccc(cc2)F)cc(=O)c1O)c1cccnc1
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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 C21H18FNO5S MW 415.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18FNO5S/c1-27-19(25)10-17(13-3-2-8-23-11-13)21-20(26)18(24)9-15(28-21)12-29-16-6-4-14(22)5-7-16/h2-9,11,17,26H,10,12H2,1H3InChIKey
IFROLGQBGXFWGB-UHFFFAOYSA-NSynonyms
1574317-12-61574317126
COC(=O)CC(C1=CN=CC=C1)C2=C(C(=O)C=C(O2)CSC3=CC=C(C=C3)F)O
InChI=1SC21H18FNO5Sc12719(25)1017(13328231113)2120(26)18(24)915(2821)1229166414(22)5716h29111726H1012H21H3
methyl3(6(((4fluorophenyl)sulfanyl)methyl)3hydroxy4oxo4Hpyran2yl)3(pyridin3yl)propanoate
methyl3(6(((4fluorophenyl)thio)methyl)3hydroxy4oxo4Hpyran2yl)3(pyridin3yl)propanoate
methyl3(6((4fluorophenyl)sulfanylmethyl)3hydroxy4oxopyran2yl)3pyridin3ylpropanoate
MFCD28025822
ZINC000095473714
ZINC000095473715
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