Vitas-M small molecule compound
2-[2-carboxy-1-(4-hydroxy-3,5-dimethoxyphenyl)ethyl]-3-hydroxy-1,4,5-trimethyl-1H-imidazol-3-ium
Catalog ID
STL553508
SMILES COc1cc(cc(c1O)OC)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 C17H23N2O6 MW 351.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N2O6/c1-9-10(2)19(23)17(18(9)3)12(8-15(20)21)11-6-13(24-4)16(22)14(7-11)25-5/h6-7,12H,8H2,1-5H3,(H2-,20,21,22,23)/p+1InChIKey
OANMESTWKJMOAI-UHFFFAOYSA-OSynonyms
127253592
2(2carboxy1(4hydroxy35dimethoxyphenyl)ethyl)3hydroxy145trimethyl1Himidazol3ium
2(2carboxy1(4hydroxy35dimethoxyphenyl)ethyl)3hydroxy145trimethyl1Himidazol3iumchloride
3(4hydroxy35dimethoxyphenyl)3(1hydroxy345trimethylimidazol3ium2yl)propanoicacid
COc1cc(cc(c1O)OC)C(c1(n+)(O)c(c(n1C)C)C)CC(=O)O(Cl)
InChI=1SC17H22N2O6c1910(2)19(23)17(18(9)3)12(815(20)21)11613(244)16(22)14(711)255h6712H8H215H3(H220212223)p+1
ZINC000604404464
ZINC000604404466
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