Vitas-M small molecule compound

3-(3,4-dimethoxyphenyl)-8-{[(2-methoxyethyl)ammonio]methyl}-2-oxo-2H-chromen-7-olate

Catalog ID
STK634262
SMILES COCC[NH2+]Cc1c([O-])ccc2c1oc(=O)c(c2)c1ccc(c(c1)OC)OC

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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 C21H23NO6 MW 385.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO6/c1-25-9-8-22-12-16-17(23)6-4-14-10-15(21(24)28-20(14)16)13-5-7-18(26-2)19(11-13)27-3/h4-7,10-11,22-23H,8-9,12H2,1-3H3
InChIKey
UWDHMSBCBOZASF-UHFFFAOYSA-N
Synonyms

3(34dimethoxyphenyl)7hydroxy8(((2methoxyethyl)amino)methyl)2Hchromen2onehydrochloride
3(34dimethoxyphenyl)8(((2methoxyethyl)ammonio)methyl)2oxo2Hchromen7olate
3(34dimethoxyphenyl)8((2methoxyethylazaniumyl)methyl)2oxochromen7olate
COCC(NH2+)CC1=C(C=CC2=C1OC(=O)C(=C2)C3=CC(=C(C=C3)OC)OC)(O)
COCC(NH2+)Cc1c((O))ccc2c1oc(=O)c(c2)c1ccc(c(c1)OC)OC
COCCNCc1c(O)ccc2c1oc(=O)c(c2)c1ccc(c(c1)OC)OCCl
InChI=1SC21H23NO6c1259822121617(23)64141015(21(24)2820(14)16)135718(262)19(1113)273h4710112223H8912H213H3
MFCD09851615
ZINC000013690253
ZINC13690253

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Available files

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