Vitas-M small molecule compound

methyl 3-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-[3-(hydroxymethyl)-4-methoxyphenyl]propanoate

Catalog ID
STL543119
SMILES COC(=O)CC(C1=C(O)C(=O)c2c(C1=O)cccc2)c1ccc(c(c1)CO)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 C22H20O7 MW 396.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20O7/c1-28-17-8-7-12(9-13(17)11-23)16(10-18(24)29-2)19-20(25)14-5-3-4-6-15(14)21(26)22(19)27/h3-9,16,23,27H,10-11H2,1-2H3
InChIKey
KOQIRSQPGBZKPD-UHFFFAOYSA-N
Synonyms

InChI=1SC22H20O7c128178712(913(17)1123)16(1018(24)292)1920(25)14534615(14)21(26)22(19)27h39162327H1011H212H3
methyl3(3hydroxy14dioxo14dihydronaphthalen2yl)3(3(hydroxymethyl)4methoxyphenyl)propanoate
MFCD28349895
ZINC000217871014
ZINC000217871093

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Available files

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