Vitas-M small molecule compound

methyl 3-(1,3-benzodioxol-5-yl)-3-{2-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-oxo-1,4-dihydropyridin-3-yl}propanoate

Catalog ID
STL548788
SMILES COC(=O)CC(c1c(=O)cc(n(c1O)CCc1c[nH]c2c1cccc2)C)c1ccc2c(c1)OCO2

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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 C27H26N2O6 MW 474.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O6/c1-16-11-22(30)26(20(13-25(31)33-2)17-7-8-23-24(12-17)35-15-34-23)27(32)29(16)10-9-18-14-28-21-6-4-3-5-19(18)21/h3-8,11-12,14,20,28,32H,9-10,13,15H2,1-2H3
InChIKey
XDMCQFIPNXMKSN-UHFFFAOYSA-N
Synonyms

InChI=1SC27H26N2O6c1161122(30)26(20(1325(31)332)17782324(1217)35153423)27(32)29(16)10918142821643519(18)21h38111214202832H9101315H212H3
methyl3(13benzodioxol5yl)3(2hydroxy1(2(1Hindol3yl)ethyl)6methyl4oxo14dihydropyridin3yl)propanoate
MFCD31756813
ZINC000409414560
ZINC000409414561

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Available files

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