Vitas-M small molecule compound
{4-[1-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-methoxy-3-oxopropyl]-2-methoxyphenoxy}acetic acid
Catalog ID
STL543555
SMILES COC(=O)CC(C1=C(O)C(=O)c2c(C1=O)cccc2)c1ccc(c(c1)OC)OCC(=O)O
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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 C23H20O9 MW 440.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20O9/c1-30-17-9-12(7-8-16(17)32-11-18(24)25)15(10-19(26)31-2)20-21(27)13-5-3-4-6-14(13)22(28)23(20)29/h3-9,15,29H,10-11H2,1-2H3,(H,24,25)InChIKey
NEKNUBHOAHVFSV-UHFFFAOYSA-NSynonyms
(4(1(3hydroxy14dioxo14dihydronaphthalen2yl)3methoxy3oxopropyl)2methoxyphenoxy)aceticacid
2(4(1(3hydroxy14dioxo14dihydronaphthalen2yl)3methoxy3oxopropyl)2methoxyphenoxy)aceticacid
InChI=1SC23H20O9c13017912(7816(17)321118(24)25)15(1019(26)312)2021(27)13534614(13)22(28)23(20)29h391529H1011H212H3(H2425)
MFCD28349687
ZINC000217822664
ZINC000217822736
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