Vitas-M small molecule compound
6-benzyl-4-methoxy-6-methyl-5-[(2-methylphenyl)carbamoyl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL552935
SMILES COc1c2OCOc2cc2c1C(C(=O)Nc1ccccc1C)[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 C27H29N2O4 MW 445.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O4/c1-18-9-7-8-12-21(18)28-27(30)24-23-20(15-22-25(26(23)31-3)33-17-32-22)13-14-29(24,2)16-19-10-5-4-6-11-19/h4-12,15,24H,13-14,16-17H2,1-3H3/p+1InChIKey
GKJIFNWAKLZNLW-UHFFFAOYSA-OSynonyms
3808338
6benzyl4methoxy6methyl~(N)(2methylphenyl)78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5carboxamide
6benzyl4methoxy6methyl5((2methylphenyl)carbamoyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
6benzyl4methoxy6methyl5(otolylcarbamoyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
6BENZYL4METHOXY6METHYLN(2METHYLPHENYL)78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5CARBOXAMIDE
COc1c2OCOc2cc2c1C(C(=O)Nc1ccccc1C)(N+)(CC2)(C)Cc1ccccc1(I)
InChI=1SC27H28N2O4c1189781221(18)2827(30)242320(152225(26(23)313)33173222)131429(242)1619105461119h4121524H13141617H213H3p+1
ZINC000247639619
ZINC000247639630
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