Vitas-M small molecule compound
ethyl 3-[3-(benzyloxy)-4-methoxyphenyl]-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate
Catalog ID
STL154944
SMILES CCOC(=O)CC(c1oc(CO)cc(=O)c1O)c1ccc(c(c1)OCc1ccccc1)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 C25H26O8 MW 454.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26O8/c1-3-31-23(28)13-19(25-24(29)20(27)12-18(14-26)33-25)17-9-10-21(30-2)22(11-17)32-15-16-7-5-4-6-8-16/h4-12,19,26,29H,3,13-15H2,1-2H3InChIKey
XMAAYQWZTYONTG-UHFFFAOYSA-NSynonyms
1324097-75-71324097757
CCOC(=O)CC(C1=CC(=C(C=C1)OC)OCC2=CC=CC=C2)C3=C(C(=O)C=C(O3)CO)O
ethyl3(3(benzyloxy)4methoxyphenyl)3(3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)propanoate
ethyl3(3hydroxy6(hydroxymethyl)4oxopyran2yl)3(4methoxy3phenylmethoxyphenyl)propanoate
InChI=1SC25H26O8c133123(28)1319(2524(29)20(27)1218(1426)3325)1791021(302)22(1117)3215167546816h412192629H31315H212H3
MFCD19710151
ZINC000071283155
ZINC000071283156
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