Vitas-M small molecule compound

1-(3-methylphenyl)-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione 2-oxide

Catalog ID
STK695610
SMILES Cc1cccc(c1)n1[n+]([O-])nc2c1C(=O)c1c(C2=O)cccc1

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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 C17H11N3O3 MW 305.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11N3O3/c1-10-5-4-6-11(9-10)19-15-14(18-20(19)23)16(21)12-7-2-3-8-13(12)17(15)22/h2-9H,1H3
InChIKey
GDXMRRRAYBMLGG-UHFFFAOYSA-N
Synonyms

1(3methylphenyl)1Hnaphtho(23d)(123)triazole49dione2oxide
3(3methylphenyl)2oxidobenzo(f)benzotriazol2ium49dione
CC1=CC(=CC=C1)N2C3=C(C(=O)C4=CC=CC=C4C3=O)N=(N+)2(O)
Cc1cccc(c1)n1(n+)((O))nc2c1C(=O)c1c(C2=O)cccc1
InChI=1SC17H11N3O3c11054611(910)191514(1820(19)23)16(21)12723813(12)17(15)22h29H1H3
MFCD18075407
ZINC000334157916
ZINC36559213

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Available files

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