Vitas-M small molecule compound

4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrobenzonitrile

Catalog ID
STK536850
SMILES N#Cc1ccc(c(c1)[N+](=O)[O-])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 C16H13N3O2 MW 279.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O2/c17-10-12-5-6-15(16(9-12)19(20)21)18-8-7-13-3-1-2-4-14(13)11-18/h1-6,9H,7-8,11H2
InChIKey
DQKZOKFHFAVVHO-UHFFFAOYSA-N
Synonyms
165615-47-4
165615474
4(34DIHYDRO1HISOQUINOLIN2YL)3NITROBENZONITRILE
4(34dihydroisoquinolin2(1H)yl)3nitrobenzonitrile
C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)C#N)(N+)(=O)(O)
InChI=1SC16H13N3O2c1710125615(16(912)19(20)21)188713312414(13)1118h169H7811H2
MFCD02139996
N#Cc1ccc(c(c1)(N+)(=O)(O))N1CCc2c(C1)cccc2
ZINC000004329467
ZINC04329467
ZINC4329467

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Available files

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