Vitas-M small molecule compound

(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)(3-nitrophenyl)methanone

Catalog ID
STK830749
SMILES COc1cc2CCN(C(c2cc1OC)C)C(=O)c1cccc(c1)[N+](=O)[O-]

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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 C19H20N2O5 MW 356.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O5/c1-12-16-11-18(26-3)17(25-2)10-13(16)7-8-20(12)19(22)14-5-4-6-15(9-14)21(23)24/h4-6,9-12H,7-8H2,1-3H3
InChIKey
AWWIWXNJNCIQQU-UHFFFAOYSA-N
Synonyms

((1R)67DIMETHOXY1METHYL34DIHYDROISOQUINOLIN2(1H)YL)(3NITROPHENYL)METHANONE
(67DIMETHOXY1METHYL34DIHYDRO1HISOQUINOLIN2YL)(3NITROPHENYL)METHANONE
(67dimethoxy1methyl34dihydroisoquinolin2(1H)yl)(3nitrophenyl)methanone
(S)(67dimethoxy1methyl34dihydroisoquinolin2(1H)yl)(3nitrophenyl)methanone
CC1C2=CC(=C(C=C2CCN1C(=O)C3=CC(=CC=C3)(N+)(=O)(O))OC)OC
COc1cc2CCN((C@H)(c2cc1OC)C)C(=O)c1cccc(c1)(N+)(=O)(O)
COc1cc2CCN(C(c2cc1OC)C)C(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC19H20N2O5c112161118(263)17(252)1013(16)7820(12)19(22)1454615(914)21(23)24h46912H78H213H3
MFCD02856034
ZINC000001797112
ZINC000004185242

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.