Vitas-M small molecule compound
8-[(diethylammonio)methyl]-3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-olate
Catalog ID
STK624725
SMILES COc1cc(ccc1OC)c1c(C)oc2c(c1=O)ccc(c2C[NH+](CC)CC)[O-]
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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 C23H27NO5 MW 397.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27NO5/c1-6-24(7-2)13-17-18(25)10-9-16-22(26)21(14(3)29-23(16)17)15-8-11-19(27-4)20(12-15)28-5/h8-12,25H,6-7,13H2,1-5H3InChIKey
XNXOLVHIFXKTSJ-UHFFFAOYSA-NSynonyms
848728-87-08((DIETHYLAMINO)METHYL)3(34DIMETHOXYPHENYL)7HYDROXY2METHYLCHROMEN4ONE
8((diethylammonio)methyl)3(34dimethoxyphenyl)2methyl4oxo4Hchromen7olate
8((diethylazaniumyl)methyl)3(34dimethoxyphenyl)2methyl4oxochromen7olate
CC(NH+)(CC)CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC(=C(C=C3)OC)OC)C)(O)
COc1cc(ccc1OC)c1c(C)oc2c(c1=O)ccc(c2C(NH+)(CC)CC)(O)
InChI=1SC23H27NO5c1624(72)131718(25)1091622(26)21(14(3)2923(16)17)1581119(274)20(1215)285h81225H6713H215H3
MFCD04193724
ZINC000006937813
ZINC6937813
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