Vitas-M small molecule compound
methyl 3-(6-{[(2-fluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(1-methyl-1H-pyrazol-4-yl)propanoate
Catalog ID
STL313964
SMILES COC(=O)CC(c1oc(CSc2ccccc2F)cc(=O)c1O)c1cnn(c1)C
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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/c1-23-10-12(9-22-23)14(8-18(25)27-2)20-19(26)16(24)7-13(28-20)11-29-17-6-4-3-5-15(17)21/h3-7,9-10,14,26H,8,11H2,1-2H3InChIKey
UHJSLJWJDDALKH-UHFFFAOYSA-NSynonyms
1436002-81-11436002811
CN1C=C(C=N1)C(CC(=O)OC)C2=C(C(=O)C=C(O2)CSC3=CC=CC=C3F)O
InChI=1SC20H19FN2O5Sc1231012(92223)14(818(25)272)2019(26)16(24)713(2820)112917643515(17)21h379101426H811H212H3
methyl3(6(((2fluorophenyl)sulfanyl)methyl)3hydroxy4oxo4Hpyran2yl)3(1methyl1Hpyrazol4yl)propanoate
methyl3(6(((2fluorophenyl)thio)methyl)3hydroxy4oxo4Hpyran2yl)3(1methyl1Hpyrazol4yl)propanoate
methyl3(6((2fluorophenyl)sulfanylmethyl)3hydroxy4oxopyran2yl)3(1methylpyrazol4yl)propanoate
MFCD23139783
ZINC000095475999
ZINC000095476000
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