Vitas-M small molecule compound
6-(2-amino-2-oxoethyl)-4-methoxy-6-methyl-5-[(2-methylphenyl)carbamoyl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL552947
SMILES COc1c2OCOc2cc2c1C(C(=O)Nc1ccccc1C)[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/c1-13-6-4-5-7-15(13)24-22(27)19-18-14(8-9-25(19,2)11-17(23)26)10-16-20(21(18)28-3)30-12-29-16/h4-7,10,19H,8-9,11-12H2,1-3H3,(H2-,23,24,26,27)/p+1InChIKey
XTGFQJQJCDIKLY-UHFFFAOYSA-OSynonyms
3363792
6(2amino2oxoethyl)4methoxy6methyl~(N)(2methylphenyl)78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5carboxamide
6(2amino2oxoethyl)4methoxy6methyl5((2methylphenyl)carbamoyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
6(2amino2oxoethyl)4methoxy6methyl5(otolylcarbamoyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
6(2AMINO2OXOETHYL)4METHOXY6METHYLN(2METHYLPHENYL)78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5CARBOXAMIDE
COc1c2OCOc2cc2c1C(C(=O)Nc1ccccc1C)(N+)(CC2)(C)CC(=O)N(I)
InChI=1SC22H25N3O5c113645715(13)2422(27)191814(8925(192)1117(23)26)101620(21(18)283)30122916h471019H891112H213H3(H223242627)p+1
ZINC000247693384
ZINC000247693393
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