Vitas-M small molecule compound

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

Catalog ID
STL316360
SMILES COC(=O)CC(c1oc(CSc2ccccc2F)cc(=O)c1O)c1ccsc1

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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 C20H17FO5S2 MW 420.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17FO5S2/c1-25-18(23)9-14(12-6-7-27-10-12)20-19(24)16(22)8-13(26-20)11-28-17-5-3-2-4-15(17)21/h2-8,10,14,24H,9,11H2,1H3
InChIKey
LPODZPUZQSOAAL-UHFFFAOYSA-N
Synonyms
1435904-71-4
1435904714
COC(=O)CC(C1=CSC=C1)C2=C(C(=O)C=C(O2)CSC3=CC=CC=C3F)O
InChI=1SC20H17FO5S2c12518(23)914(1267271012)2019(24)16(22)813(2620)112817532415(17)21h28101424H911H21H3
methyl3(6(((2fluorophenyl)sulfanyl)methyl)3hydroxy4oxo4Hpyran2yl)3(thiophen3yl)propanoate
methyl3(6(((2fluorophenyl)thio)methyl)3hydroxy4oxo4Hpyran2yl)3(thiophen3yl)propanoate
methyl3(6((2fluorophenyl)sulfanylmethyl)3hydroxy4oxopyran2yl)3thiophen3ylpropanoate
MFCD23140081
ZINC000095477717
ZINC000095477718

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.