Vitas-M small molecule compound
ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-[4-(octyloxy)phenyl]propanoate
Catalog ID
STL538259
SMILES CCCCCCCCOc1ccc(cc1)C(c1oc(CO)cc(=O)c1O)CC(=O)OCC
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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 C25H34O7 MW 446.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H34O7/c1-3-5-6-7-8-9-14-31-19-12-10-18(11-13-19)21(16-23(28)30-4-2)25-24(29)22(27)15-20(17-26)32-25/h10-13,15,21,26,29H,3-9,14,16-17H2,1-2H3InChIKey
CRYMJFVJUIXMMJ-UHFFFAOYSA-NSynonyms
1351682-33-11351682331
71753334
ethyl3(3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)3(4(octyloxy)phenyl)propanoate
ethyl3(3hydroxy6(hydroxymethyl)4oxopyran2yl)3(4octoxyphenyl)propanoate
InChI=1SC25H34O7c1356789143119121018(111319)21(1623(28)3042)2524(29)22(27)1520(1726)3225h101315212629H39141617H212H3
MFCD20529188
ZINC000072324422
ZINC000072324423
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