Vitas-M small molecule compound

methyl 3-(6-{[(4-chlorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-4-methylpentanoate

Catalog ID
STL312682
SMILES COC(=O)CC(c1oc(CSc2ccc(cc2)Cl)cc(=O)c1O)C(C)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 C19H21ClO5S MW 396.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClO5S/c1-11(2)15(9-17(22)24-3)19-18(23)16(21)8-13(25-19)10-26-14-6-4-12(20)5-7-14/h4-8,11,15,23H,9-10H2,1-3H3
InChIKey
GZIZIWPDQDZHKZ-UHFFFAOYSA-N
Synonyms
1441867-58-8
1441867588
CC(C)C(CC(=O)OC)C1=C(C(=O)C=C(O1)CSC2=CC=C(C=C2)Cl)O
InChI=1SC19H21ClO5Sc111(2)15(917(22)243)1918(23)16(21)813(2519)1026146412(20)5714h48111523H910H213H3
methyl3(6(((4chlorophenyl)sulfanyl)methyl)3hydroxy4oxo4Hpyran2yl)4methylpentanoate
methyl3(6(((4chlorophenyl)thio)methyl)3hydroxy4oxo4Hpyran2yl)4methylpentanoate
methyl3(6((4chlorophenyl)sulfanylmethyl)3hydroxy4oxopyran2yl)4methylpentanoate
MFCD28026788
ZINC000095474964
ZINC000095474965

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Available files

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