Vitas-M small molecule compound

3-({4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}carbonyl)-2H-chromen-2-one

Catalog ID
STK610856
SMILES O=c1oc2ccccc2cc1C(=O)N1CCN(CC1)CCc1ccccn1

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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 C21H21N3O3 MW 363.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O3/c25-20(18-15-16-5-1-2-7-19(16)27-21(18)26)24-13-11-23(12-14-24)10-8-17-6-3-4-9-22-17/h1-7,9,15H,8,10-14H2
InChIKey
DTXMNXKKQFTCHP-UHFFFAOYSA-N
Synonyms
885728-83-6
3((4(2(pyridin2yl)ethyl)piperazin1yl)carbonyl)2Hchromen2one
3(4(2(pyridin2yl)ethyl)piperazine1carbonyl)2Hchromen2one
3(4(2PYRIDIN2YLETHYL)PIPERAZINE1CARBONYL)CHROMEN2ONE
885728836
C1CN(CCN1CCC2=CC=CC=N2)C(=O)C3=CC4=CC=CC=C4OC3=O
InChI=1SC21H21N3O3c2520(181516512719(16)2721(18)26)24131123(121424)1081763492217h17915H81014H2
MFCD07454475
ZINC000054240240
ZINC54240240

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Available files

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