Vitas-M small molecule compound

2-(2,4-dinitrophenyl)-1,2,3,4-tetrahydroisoquinoline

Catalog ID
STK727848
SMILES [O-][N+](=O)c1cc(ccc1N1CCc2c(C1)cccc2)[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 C15H13N3O4 MW 299.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N3O4/c19-17(20)13-5-6-14(15(9-13)18(21)22)16-8-7-11-3-1-2-4-12(11)10-16/h1-6,9H,7-8,10H2
InChIKey
OFCWRUWGWVDVSM-UHFFFAOYSA-N
Synonyms
135226-10-7
(O)(N+)(=O)c1cc(ccc1N1CCc2c(C1)cccc2)(N+)(=O)(O)
135226107
2(24dinitrophenyl)1234tetrahydroisoquinoline
2(24DINITROPHENYL)34DIHYDRO1HISOQUINOLINE
C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC15H13N3O4c1917(20)135614(15(913)18(21)22)168711312412(11)1016h169H7810H2
MFCD00827105
ZINC000004181249
ZINC04181249
ZINC4181249

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Available files

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