Vitas-M small molecule compound
ethyl 3-[4-(cyclopentyloxy)phenyl]-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate
Catalog ID
STL154963
SMILES CCOC(=O)CC(c1oc(CO)cc(=O)c1O)c1ccc(cc1)OC1CCCC1
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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 C22H26O7 MW 402.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26O7/c1-2-27-20(25)12-18(22-21(26)19(24)11-17(13-23)29-22)14-7-9-16(10-8-14)28-15-5-3-4-6-15/h7-11,15,18,23,26H,2-6,12-13H2,1H3InChIKey
KMLVNXGPAMOIMA-UHFFFAOYSA-NSynonyms
1324076-45-01324076450
CCOC(=O)CC(C1=CC=C(C=C1)OC2CCCC2)C3=C(C(=O)C=C(O3)CO)O
ethyl3(4(cyclopentyloxy)phenyl)3(3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)propanoate
ethyl3(4cyclopentyloxyphenyl)3(3hydroxy6(hydroxymethyl)4oxopyran2yl)propanoate
InChI=1SC22H26O7c122720(25)1218(2221(26)19(24)1117(1323)2922)147916(10814)2815534615h71115182326H261213H21H3
MFCD19710461
ZINC000071283602
ZINC000071283603
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