Vitas-M small molecule compound
2-[2-carboxy-1-(6-methoxy-4-oxo-4H-chromen-3-yl)ethyl]-3-hydroxy-1,4,5-trimethyl-1H-imidazol-3-ium
Catalog ID
STL553488
SMILES COc1ccc2c(c1)c(=O)c(co2)C(c1[n+](O)c(c(n1C)C)C)CC(=O)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 C19H21N2O6 MW 373.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O6/c1-10-11(2)21(25)19(20(10)3)13(8-17(22)23)15-9-27-16-6-5-12(26-4)7-14(16)18(15)24/h5-7,9,13H,8H2,1-4H3,(H-,22,23,25)/p+1InChIKey
HDKAYZHGAULWOB-UHFFFAOYSA-OSynonyms
127253551
2(2carboxy1(6methoxy4oxo4Hchromen3yl)ethyl)3hydroxy145trimethyl1Himidazol3ium
2(2carboxy1(6methoxy4oxo4Hchromen3yl)ethyl)3hydroxy145trimethyl1Himidazol3iumchloride
3(1hydroxy345trimethylimidazol3ium2yl)3(6methoxy4oxochromen3yl)propanoicacid
COc1ccc2c(c1)c(=O)c(co2)C(c1(n+)(O)c(c(n1C)C)C)CC(=O)O(Cl)
InChI=1SC19H20N2O6c11011(2)21(25)19(20(10)3)13(817(22)23)15927166512(264)714(16)18(15)24h57913H8H214H3(H222325)p+1
ZINC000604403981
ZINC000604403982
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