Vitas-M small molecule compound

N-benzyl-7-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine

Catalog ID
STL005219
SMILES [O-][N+](=O)c1c(NCc2ccccc2)cc(c2c1non2)N1CCc2c(C1)cccc2

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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 C22H19N5O3 MW 401.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O3/c28-27(29)22-18(23-13-15-6-2-1-3-7-15)12-19(20-21(22)25-30-24-20)26-11-10-16-8-4-5-9-17(16)14-26/h1-9,12,23H,10-11,13-14H2
InChIKey
RIXFSDJJWDSIGB-UHFFFAOYSA-N
Synonyms
497077-89-1
(O)(N+)(=O)c1c(NCc2ccccc2)cc(c2c1non2)N1CCc2c(C1)cccc2
497077891
BENZYL(7(34DIHYDRO1HISOQUINOLIN2YL)4NITROBENZO(125)OXADIAZOL5YL)AMINE
C1CN(CC2=CC=CC=C21)C3=CC(=C(C4=NON=C34)(N+)(=O)(O))NCC5=CC=CC=C5
InChI=1SC22H19N5O3c2827(29)2218(2313156213715)1219(2021(22)25302420)26111016845917(16)1426h191223H10111314H2
MFCD03299346
NBENZYL7(34DIHYDRO1HISOQUINOLIN2YL)4NITRO213BENZOXADIAZOL5AMINE
Nbenzyl7(34dihydroisoquinolin2(1H)yl)4nitro213benzoxadiazol5amine
Nbenzyl7(34dihydroisoquinolin2(1H)yl)4nitrobenzo(c)(125)oxadiazol5amine
ZINC000004935510
ZINC04935510
ZINC4935510

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Available files

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