Vitas-M small molecule compound
6-benzyl-4-methoxy-6-methyl-5-(phenylcarbamoyl)-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL552930
SMILES COc1c2OCOc2cc2c1C(C(=O)Nc1ccccc1)[N+](CC2)(C)Cc1ccccc1
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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 C26H27N2O4 MW 431.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O4/c1-28(16-18-9-5-3-6-10-18)14-13-19-15-21-24(32-17-31-21)25(30-2)22(19)23(28)26(29)27-20-11-7-4-8-12-20/h3-12,15,23H,13-14,16-17H2,1-2H3/p+1InChIKey
JOXWNWICYQEYLB-UHFFFAOYSA-OSynonyms
3809515
6benzyl4methoxy6methyl~(N)phenyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5carboxamide
6benzyl4methoxy6methyl5(phenylcarbamoyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
6benzyl4methoxy6methyl5(phenylcarbamoyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6iumchloride
6BENZYL4METHOXY6METHYLNPHENYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5CARBOXAMIDE
COc1c2OCOc2cc2c1C(C(=O)Nc1ccccc1)(N+)(CC2)(C)Cc1ccccc1(Cl)
InChI=1SC26H26N2O4c128(161895361018)141319152124(32173121)25(302)22(19)23(28)26(29)2720117481220h3121523H13141617H212H3p+1
ZINC000248022156
ZINC000248022164
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