Vitas-M small molecule compound
1-(1,3-benzodioxol-5-ylmethyl)-2-[2-carboxy-1-(3,4-dimethoxyphenyl)ethyl]-3-hydroxy-4,5-dimethyl-1H-imidazol-3-ium
Catalog ID
STL553484
SMILES COc1ccc(cc1OC)C(c1[n+](O)c(c(n1Cc1ccc2c(c1)OCO2)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 C24H27N2O7 MW 455.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O7/c1-14-15(2)26(29)24(25(14)12-16-5-7-20-22(9-16)33-13-32-20)18(11-23(27)28)17-6-8-19(30-3)21(10-17)31-4/h5-10,18H,11-13H2,1-4H3,(H-,27,28,29)/p+1InChIKey
XSIACMPIQUQZAK-UHFFFAOYSA-OSynonyms
1(13benzodioxol5ylmethyl)2(2carboxy1(34dimethoxyphenyl)ethyl)3hydroxy45dimethyl1Himidazol3ium
1(benzo(d)(13)dioxol5ylmethyl)2(2carboxy1(34dimethoxyphenyl)ethyl)3hydroxy45dimethyl1Himidazol3iumchloride
127252755
3(1(13benzodioxol5ylmethyl)3hydroxy45dimethylimidazol1ium2yl)3(34dimethoxyphenyl)propanoicacid
COc1ccc(cc1OC)C(c1(n+)(O)c(c(n1Cc1ccc2c(c1)OCO2)C)C)CC(=O)O(Cl)
InChI=1SC24H26N2O7c11415(2)26(29)24(25(14)1216572022(916)33133220)18(1123(27)28)176819(303)21(1017)314h51018H1113H214H3(H272829)p+1
ZINC000604406010
ZINC000604406011
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