Vitas-M small molecule compound

3,6,6-trimethyl-1-(2-methylphenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one

Catalog ID
STK324774
SMILES O=C1CC(C)(C)Cc2c1c(C)nn2c1ccccc1C

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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 C17H20N2O MW 268.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N2O/c1-11-7-5-6-8-13(11)19-14-9-17(3,4)10-15(20)16(14)12(2)18-19/h5-8H,9-10H2,1-4H3
InChIKey
CEQHOPZYRCRTMN-UHFFFAOYSA-N
Synonyms
442643-10-9
366trimethyl1(2methylphenyl)1567tetrahydro4Hindazol4one
366TRIMETHYL1(2METHYLPHENYL)1H567TRIHYDROINDAZOL4ONE
366TRIMETHYL1(2METHYLPHENYL)57DIHYDROINDAZOL4ONE
442643109
CC1=CC=CC=C1N2C3=C(C(=N2)C)C(=O)CC(C3)(C)C
InChI=1SC17H20N2Oc111756813(11)1914917(34)1015(20)16(14)12(2)1819h58H910H214H3
MFCD03036610
ZINC000000140641
ZINC00140641
ZINC140641

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Available files

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