Vitas-M small molecule compound

methyl 3-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-{3-methoxy-4-[2-(4-methoxyphenyl)ethoxy]phenyl}propanoate

Catalog ID
STL543309
SMILES COC(=O)CC(C1=C(O)C(=O)c2c(C1=O)cccc2)c1ccc(c(c1)OC)OCCc1ccc(cc1)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 C30H28O8 MW 516.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28O8/c1-35-20-11-8-18(9-12-20)14-15-38-24-13-10-19(16-25(24)36-2)23(17-26(31)37-3)27-28(32)21-6-4-5-7-22(21)29(33)30(27)34/h4-13,16,23,34H,14-15,17H2,1-3H3
InChIKey
PFBRJLNJVXNHAQ-UHFFFAOYSA-N
Synonyms

InChI=1SC30H28O8c1352011818(91220)14153824131019(1625(24)362)23(1726(31)373)2728(32)21645722(21)29(33)30(27)34h413162334H141517H213H3
methyl3(3hydroxy14dioxo14dihydronaphthalen2yl)3(3methoxy4(2(4methoxyphenyl)ethoxy)phenyl)propanoate
methyl3(3hydroxy14dioxo14dihydronaphthalen2yl)3(3methoxy4(4methoxyphenethoxy)phenyl)propanoate
MFCD28985457
ZINC000217970211
ZINC000217970293

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Available files

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