Vitas-M small molecule compound

4-methoxy-6,6-dimethyl-5-[(3-methylphenyl)carbamoyl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium

Catalog ID
STL552948
SMILES COc1c2OCOc2cc2c1C(C(=O)Nc1cccc(c1)C)[N+](CC2)(C)C

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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 C21H25N2O4 MW 369.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O4/c1-13-6-5-7-15(10-13)22-21(24)18-17-14(8-9-23(18,2)3)11-16-19(20(17)25-4)27-12-26-16/h5-7,10-11,18H,8-9,12H2,1-4H3/p+1
InChIKey
NBTKCXGKZIRSIK-UHFFFAOYSA-O
Synonyms

3752729
4methoxy66dimethyl~(N)(3methylphenyl)78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5carboxamide
4methoxy66dimethyl5((3methylphenyl)carbamoyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
4methoxy66dimethyl5(mtolylcarbamoyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
4METHOXY66DIMETHYLN(3METHYLPHENYL)78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5CARBOXAMIDE
COc1c2OCOc2cc2c1C(C(=O)Nc1cccc(c1)C)(N+)(CC2)(C)C(I)
InChI=1SC21H24N2O4c11365715(1013)2221(24)181714(8923(182)3)111619(20(17)254)27122616h57101118H8912H214H3p+1
ZINC000001825798
ZINC000001825799

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Available files

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