Vitas-M small molecule compound

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

Catalog ID
STL434601
SMILES COC(=O)CC(c1oc(CSc2ccc(cc2)F)cc(=O)c1O)c1ccc(c(c1)Cl)Cl

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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 C22H17Cl2FO5S MW 483.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17Cl2FO5S/c1-29-20(27)10-16(12-2-7-17(23)18(24)8-12)22-21(28)19(26)9-14(30-22)11-31-15-5-3-13(25)4-6-15/h2-9,16,28H,10-11H2,1H3
InChIKey
HKXAAEOGCJCZFP-UHFFFAOYSA-N
Synonyms

COC(=O)CC(C1=CC(=C(C=C1)Cl)Cl)C2=C(C(=O)C=C(O2)CSC3=CC=C(C=C3)F)O
InChI=1SC22H17Cl2FO5Sc12920(27)1016(122717(23)18(24)812)2221(28)19(26)914(3022)1131155313(25)4615h291628H1011H21H3
methyl3(34dichlorophenyl)3(6(((4fluorophenyl)sulfanyl)methyl)3hydroxy4oxo4Hpyran2yl)propanoate
methyl3(34dichlorophenyl)3(6((4fluorophenyl)sulfanylmethyl)3hydroxy4oxopyran2yl)propanoate
MFCD30711249
ZINC000096335893
ZINC000096335894

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Available files

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