Vitas-M small molecule compound

1-(2-methylphenyl)-4,6-dinitro-1H-indazole

Catalog ID
STK766682
SMILES [O-][N+](=O)c1cc2n(ncc2c(c1)[N+](=O)[O-])c1ccccc1C

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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 C14H10N4O4 MW 298.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H10N4O4/c1-9-4-2-3-5-12(9)16-13-6-10(17(19)20)7-14(18(21)22)11(13)8-15-16/h2-8H,1H3
InChIKey
IDJAKSPDYNCANX-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1cc2n(ncc2c(c1)(N+)(=O)(O))c1ccccc1C
1(2methylphenyl)46dinitro1Hindazole
1(2METHYLPHENYL)46DINITROINDAZOLE
46DINITRO1(OTOLYL)INDAZOLE
CC1=CC=CC=C1N2C3=CC(=CC(=C3C=N2)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC14H10N4O4c19423512(9)1613610(17(19)20)714(18(21)22)11(13)81516h28H1H3
MFCD03017901
ZINC000003617489
ZINC03617489
ZINC3617489

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Available files

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