Vitas-M small molecule compound

ethyl 3-[3-(cyclopentyloxy)-4-methoxyphenyl]-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate

Catalog ID
STL153098
SMILES CCOC(=O)CC(c1oc(CO)cc(=O)c1O)c1ccc(c(c1)OC1CCCC1)OC

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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 C23H28O8 MW 432.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28O8/c1-3-29-21(26)12-17(23-22(27)18(25)11-16(13-24)31-23)14-8-9-19(28-2)20(10-14)30-15-6-4-5-7-15/h8-11,15,17,24,27H,3-7,12-13H2,1-2H3
InChIKey
LXPOTWSNGWNCLX-UHFFFAOYSA-N
Synonyms
1324076-65-4
1324076654
CCOC(=O)CC(C1=CC(=C(C=C1)OC)OC2CCCC2)C3=C(C(=O)C=C(O3)CO)O
ethyl3(3(cyclopentyloxy)4methoxyphenyl)3(3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)propanoate
ethyl3(3cyclopentyloxy4methoxyphenyl)3(3hydroxy6(hydroxymethyl)4oxopyran2yl)propanoate
InChI=1SC23H28O8c132921(26)1217(2322(27)18(25)1116(1324)3123)148919(282)20(1014)3015645715h81115172427H371213H212H3
MFCD19710601
ZINC000071283795
ZINC000071283796

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Available files

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