Vitas-M small molecule compound

6-chloro-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-methyl-2-oxo-2H-chromen-7-olate

Catalog ID
STK848766
SMILES CCN1CC[NH+](CC1)Cc1c([O-])c(Cl)cc2c1oc(=O)cc2C

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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 C17H21ClN2O3 MW 336.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21ClN2O3/c1-3-19-4-6-20(7-5-19)10-13-16(22)14(18)9-12-11(2)8-15(21)23-17(12)13/h8-9,22H,3-7,10H2,1-2H3
InChIKey
AOPMQYFRYJEINB-UHFFFAOYSA-N
Synonyms
307535-52-0
307535520
6CHLORANYL8((4ETHYLPIPERAZIN1YL)METHYL)4METHYL7OXIDANYLCHROMEN2ONE
6CHLORO8((4ETHYL1PIPERAZINYL)METHYL)7HYDROXY4METHYL1BENZOPYRAN2ONE
6chloro8((4ethylpiperazin1ium1yl)methyl)4methyl2oxo2Hchromen7olate
6chloro8((4ethylpiperazin1ium1yl)methyl)4methyl2oxochromen7olate
6CHLORO8((4ETHYLPIPERAZIN1YL)METHYL)7HYDROXY4METHYLCHROMEN2ONE
6CHLORO8((4ETHYLPIPERAZINO)METHYL)7HYDROXY4METHYLCOUMARIN
6CHLORO8((4ETHYLPIPERAZINYL)METHYL)7HYDROXY4METHYLCHROMEN2ONE
CCN1CC(NH+)(CC1)Cc1c((O))c(Cl)cc2c1oc(=O)cc2C
CCN1CC(NH+)(CC1)CC2=C3C(=CC(=C2(O))Cl)C(=CC(=O)O3)C
InChI=1SC17H21ClN2O3c13194620(7519)101316(22)14(18)91211(2)815(21)2317(12)13h8922H3710H212H3
MFCD02332710
ZINC000019791730
ZINC19791730

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Available files

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