Vitas-M small molecule compound
3-(3,4-dimethoxyphenyl)-8-{[(2-methylpropyl)ammonio]methyl}-2-oxo-2H-chromen-7-olate
Catalog ID
STK639511
SMILES COc1cc(ccc1OC)c1cc2ccc(c(c2oc1=O)C[NH2+]CC(C)C)[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 C22H25NO5 MW 383.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO5/c1-13(2)11-23-12-17-18(24)7-5-15-9-16(22(25)28-21(15)17)14-6-8-19(26-3)20(10-14)27-4/h5-10,13,23-24H,11-12H2,1-4H3InChIKey
ADGRFBHWJWIXRI-UHFFFAOYSA-NSynonyms
3(34dimethoxyphenyl)7hydroxy8((isobutylamino)methyl)2Hchromen2onehydrochloride
3(34dimethoxyphenyl)8(((2methylpropyl)ammonio)methyl)2oxo2Hchromen7olate
3(34dimethoxyphenyl)8((2methylpropylazaniumyl)methyl)2oxochromen7olate
CC(C)C(NH2+)CC1=C(C=CC2=C1OC(=O)C(=C2)C3=CC(=C(C=C3)OC)OC)(O)
COc1cc(ccc1OC)c1cc2ccc(c(c2oc1=O)C(NH2+)CC(C)C)(O)
COc1cc(ccc1OC)c1cc2ccc(c(c2oc1=O)CNCC(C)C)OCl
InChI=1SC22H25NO5c113(2)1123121718(24)7515916(22(25)2821(15)17)146819(263)20(1014)274h510132324H1112H214H3
MFCD09855357
ZINC000013722200
ZINC13722200
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