Vitas-M small molecule compound

methyl 3-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-(2,4,5-trimethoxyphenyl)propanoate

Catalog ID
STL545493
SMILES COC(=O)CC(C1=C(O)C(=O)c2c(C1=O)cccc2)c1cc(OC)c(cc1OC)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 C23H22O8 MW 426.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22O8/c1-28-16-11-18(30-3)17(29-2)9-14(16)15(10-19(24)31-4)20-21(25)12-7-5-6-8-13(12)22(26)23(20)27/h5-9,11,15,27H,10H2,1-4H3
InChIKey
ORTXBKABLWCHPW-UHFFFAOYSA-N
Synonyms

InChI=1SC23H22O8c128161118(303)17(292)914(16)15(1019(24)314)2021(25)12756813(12)22(26)23(20)27h59111527H10H214H3
methyl3(3hydroxy14dioxo14dihydronaphthalen2yl)3(245trimethoxyphenyl)propanoate
MFCD28349532
ZINC000217786111
ZINC000217786188

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.