Vitas-M small molecule compound

6-(2-amino-2-oxoethyl)-4-methoxy-6-methyl-5-[(3-methylphenyl)carbamoyl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium

Catalog ID
STL552831
SMILES COc1c2OCOc2cc2c1C(C(=O)Nc1cccc(c1)C)[N+](CC2)(C)CC(=O)N

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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 C22H26N3O5 MW 412.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O5/c1-13-5-4-6-15(9-13)24-22(27)19-18-14(7-8-25(19,2)11-17(23)26)10-16-20(21(18)28-3)30-12-29-16/h4-6,9-10,19H,7-8,11-12H2,1-3H3,(H2-,23,24,26,27)/p+1
InChIKey
FNKMRJKLRPWELI-UHFFFAOYSA-O
Synonyms

3733043
6(2amino2oxoethyl)4methoxy6methyl~(N)(3methylphenyl)78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5carboxamide
6(2amino2oxoethyl)4methoxy6methyl5((3methylphenyl)carbamoyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
6(2amino2oxoethyl)4methoxy6methyl5(mtolylcarbamoyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
6(2AMINO2OXOETHYL)4METHOXY6METHYLN(3METHYLPHENYL)78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5CARBOXAMIDE
COc1c2OCOc2cc2c1C(C(=O)Nc1cccc(c1)C)(N+)(CC2)(C)CC(=O)N(I)
InChI=1SC22H25N3O5c11354615(913)2422(27)191814(7825(192)1117(23)26)101620(21(18)283)30122916h4691019H781112H213H3(H223242627)p+1
ZINC000247637787
ZINC000247637795

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Available files

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