Vitas-M small molecule compound
2-{5-[1-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-methoxy-3-oxopropyl]furan-2-yl}benzoic acid
Catalog ID
STL547517
SMILES COC(=O)CC(C1=C(O)C(=O)c2c(C1=O)cccc2)c1ccc(o1)c1ccccc1C(=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 C25H18O8 MW 446.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18O8/c1-32-20(26)12-17(21-22(27)14-7-3-4-8-15(14)23(28)24(21)29)19-11-10-18(33-19)13-6-2-5-9-16(13)25(30)31/h2-11,17,29H,12H2,1H3,(H,30,31)InChIKey
XHJGLSMQXZFITN-UHFFFAOYSA-NSynonyms
2(5(1(3hydroxy14dioxo14dihydronaphthalen2yl)3methoxy3oxopropyl)furan2yl)benzoicacid
InChI=1SC25H18O8c13220(26)1217(2122(27)14734815(14)23(28)24(21)29)19111018(3319)13625916(13)25(30)31h2111729H12H21H3(H3031)
MFCD28349383
ZINC000217752550
ZINC000217752635
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