Vitas-M small molecule compound
2-{2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}isoquinolinium
Catalog ID
STL043235
SMILES O=C(Nc1c(C)cc(cc1C)C)C[n+]1ccc2c(c1)cccc2
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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 C20H21N2O MW 305.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O/c1-14-10-15(2)20(16(3)11-14)21-19(23)13-22-9-8-17-6-4-5-7-18(17)12-22/h4-12H,13H2,1-3H3/p+1InChIKey
RLNSUQNRDLANCM-UHFFFAOYSA-OSynonyms
2(2(mesitylamino)2oxoethyl)isoquinolin2iumchloride
2(2oxo2((246trimethylphenyl)amino)ethyl)isoquinolinium
2ISOQUINOLIN2IUM2YLN(246TRIMETHYLPHENYL)ACETAMIDE
CC1=CC(=C(C(=C1)C)NC(=O)C(N+)2=CC3=CC=CC=C3C=C2)C
InChI=1SC20H20N2Oc1141015(2)20(16(3)1114)2119(23)13229817645718(17)1222h412H13H213H3p+1
O=C(Nc1c(C)cc(cc1C)C)C(n+)1ccc2c(c1)cccc2
O=C(Nc1c(C)cc(cc1C)C)C(n+)1ccc2c(c1)cccc2(Cl)
ZINC000001821469
ZINC01821469
ZINC1821469
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