Vitas-M small molecule compound

ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-[3-methoxy-4-(propan-2-yloxy)phenyl]propanoate

Catalog ID
STL160122
SMILES CCOC(=O)CC(c1oc(CO)cc(=O)c1O)c1ccc(c(c1)OC)OC(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 C21H26O8 MW 406.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26O8/c1-5-27-19(24)10-15(21-20(25)16(23)9-14(11-22)29-21)13-6-7-17(28-12(2)3)18(8-13)26-4/h6-9,12,15,22,25H,5,10-11H2,1-4H3
InChIKey
KFJJNFYIJWIUDV-UHFFFAOYSA-N
Synonyms
1324092-64-9
1324092649
CCOC(=O)CC(C1=CC(=C(C=C1)OC(C)C)OC)C2=C(C(=O)C=C(O2)CO)O
ethyl3(3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)3(3methoxy4(propan2yloxy)phenyl)propanoate
ethyl3(3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)3(4isopropoxy3methoxyphenyl)propanoate
ethyl3(3hydroxy6(hydroxymethyl)4oxopyran2yl)3(3methoxy4propan2yloxyphenyl)propanoate
InChI=1SC21H26O8c152719(24)1015(2120(25)16(23)914(1122)2921)136717(2812(2)3)18(813)264h6912152225H51011H214H3
MFCD19708565
ZINC000071279863
ZINC000071279864

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Available files

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