Vitas-M small molecule compound

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

Catalog ID
STL313068
SMILES COC(=O)CC(c1oc(CSc2cccc(c2)OC)cc(=O)c1O)C1CCCCC1

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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 C23H28O6S MW 432.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28O6S/c1-27-16-9-6-10-18(11-16)30-14-17-12-20(24)22(26)23(29-17)19(13-21(25)28-2)15-7-4-3-5-8-15/h6,9-12,15,19,26H,3-5,7-8,13-14H2,1-2H3
InChIKey
AOLBDXOMQRNVQT-UHFFFAOYSA-N
Synonyms
1435901-45-3
1435901453
COC1=CC(=CC=C1)SCC2=CC(=O)C(=C(O2)C(CC(=O)OC)C3CCCCC3)O
InChI=1SC23H28O6Sc12716961018(1116)3014171220(24)22(26)23(2917)19(1321(25)282)157435815h6912151926H35781314H212H3
methyl3cyclohexyl3(3hydroxy6(((3methoxyphenyl)sulfanyl)methyl)4oxo4Hpyran2yl)propanoate
methyl3cyclohexyl3(3hydroxy6(((3methoxyphenyl)thio)methyl)4oxo4Hpyran2yl)propanoate
methyl3cyclohexyl3(3hydroxy6((3methoxyphenyl)sulfanylmethyl)4oxopyran2yl)propanoate
MFCD23139175
ZINC000095475236
ZINC000095475237

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Available files

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