Vitas-M small molecule compound

methyl 3-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)propanoate

Catalog ID
STL542732
SMILES COC(=O)CC(C1=C(O)C(=O)c2c(C1=O)cccc2)c1cc(OC)c2c(c1)OCCO2

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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 C23H20O8 MW 424.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20O8/c1-28-16-9-12(10-17-23(16)31-8-7-30-17)15(11-18(24)29-2)19-20(25)13-5-3-4-6-14(13)21(26)22(19)27/h3-6,9-10,15,27H,7-8,11H2,1-2H3
InChIKey
ABDVJRZXPHWFCE-UHFFFAOYSA-N
Synonyms

InChI=1SC23H20O8c12816912(101723(16)31873017)15(1118(24)292)1920(25)13534614(13)21(26)22(19)27h369101527H7811H212H3
methyl3(3hydroxy14dioxo14dihydronaphthalen2yl)3(8methoxy23dihydro14benzodioxin6yl)propanoate
methyl3(3hydroxy14dioxo14dihydronaphthalen2yl)3(8methoxy23dihydrobenzo(b)(14)dioxin6yl)propanoate
MFCD28349686
ZINC000217822476
ZINC000217822553

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Available files

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