Vitas-M small molecule compound

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

Catalog ID
STK594626
SMILES CC1C[NH+](CC(O1)C)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 C17H20ClNO4 MW 337.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20ClNO4/c1-9-4-15(20)23-17-12(9)5-14(18)16(21)13(17)8-19-6-10(2)22-11(3)7-19/h4-5,10-11,21H,6-8H2,1-3H3
InChIKey
SAJYOPWDHYJDOJ-UHFFFAOYSA-N
Synonyms
307535-53-1
307535531
6CHLORANYL8((26DIMETHYLMORPHOLIN4YL)METHYL)4METHYL7OXIDANYLCHROMEN2ONE
6CHLORO8((26DIMETHYL4MORPHOLINYL)METHYL)7HYDROXY4METHYL1BENZOPYRAN2ONE
6CHLORO8((26DIMETHYL4MORPHOLINYL)METHYL)7HYDROXY4METHYL2HCHROMEN2ONE
6chloro8((26dimethylmorpholin4ium4yl)methyl)4methyl2oxo2Hchromen7olate
6CHLORO8((26DIMETHYLMORPHOLIN4YL)METHYL)7HYDROXY4METHYLCHROMEN2ONE
6CHLORO8((26DIMETHYLMORPHOLINO)METHYL)7HYDROXY4METHYLCOUMARIN
8((26DIMETHYLMORPHOLIN4YL)METHYL)6CHLORO7HYDROXY4METHYLCHROMEN2ONE
CC1C(NH+)(CC(O1)C)Cc1c((O))c(Cl)cc2c1oc(=O)cc2C
CC1CN(CC(O1)C)CC2=C3C(=CC(=C2O)Cl)C(=CC(=O)O3)C
InChI=1SC17H20ClNO4c19415(20)231712(9)514(18)16(21)13(17)819610(2)2211(3)719h45101121H68H213H3
MFCD02332711
ZINC000013125331
ZINC000019791732

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Available files

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