Vitas-M small molecule compound

3,6,6-trimethyl-1-phenyl-6,7-dihydro-1H-indazole-4,5-dione

Catalog ID
STK854901
SMILES O=C1C(=O)c2c(C)nn(c2CC1(C)C)c1ccccc1

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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 C16H16N2O2 MW 268.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O2/c1-10-13-12(9-16(2,3)15(20)14(13)19)18(17-10)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3
InChIKey
TYUAMDYNAIITCD-UHFFFAOYSA-N
Synonyms
53828-56-1
1HINDAZOLE45DIONE67DIHYDRO366TRIMETHYL1PHENYL
366TRIMETHYL1PHENYL1H67DIHYDROINDAZOLE45DIONE
366trimethyl1phenyl67dihydro1Hindazole45dione
366TRIMETHYL1PHENYL7HINDAZOLE45DIONE
53828561
CC1=NN(C2=C1C(=O)C(=O)C(C2)(C)C)C3=CC=CC=C3
InChI=1SC16H16N2O2c1101312(916(23)15(20)14(13)19)18(1710)117546811h48H9H213H3
MFCD00168633
ZINC000002868823
ZINC02868823
ZINC2868823

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Available files

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