Vitas-M small molecule compound

5,7-dihydroxy-4-methyl-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-2H-chromen-2-one

Catalog ID
STK621114
SMILES Oc1cc(O)c2c(c1)oc(=O)c(c2C)CC(=O)N1CCN(CC1)c1ccccn1

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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 C21H21N3O5 MW 395.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O5/c1-13-15(21(28)29-17-11-14(25)10-16(26)20(13)17)12-19(27)24-8-6-23(7-9-24)18-4-2-3-5-22-18/h2-5,10-11,25-26H,6-9,12H2,1H3
InChIKey
LNMPNVYAHVMCHV-UHFFFAOYSA-N
Synonyms
921084-12-0
57dihydroxy4methyl3(2oxo2(4(pyridin2yl)piperazin1yl)ethyl)2Hchromen2one
57dihydroxy4methyl3(2oxo2(4pyridin2ylpiperazin1yl)ethyl)chromen2one
921084120
CC1=C(C(=O)OC2=CC(=CC(=C12)O)O)CC(=O)N3CCN(CC3)C4=CC=CC=N4
InChI=1SC21H21N3O5c11315(21(28)29171114(25)1016(26)20(13)17)1219(27)248623(7924)1842352218h2510112526H6912H21H3
MFCD08749740
ZINC000009418562
ZINC9418562

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Available files

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