Vitas-M small molecule compound

3-benzyl-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one

Catalog ID
STK770447
SMILES O=C1CC(C)(C)Cc2c1c(n[nH]2)Cc1ccccc1

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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 C16H18N2O MW 254.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O/c1-16(2)9-13-15(14(19)10-16)12(17-18-13)8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,17,18)
InChIKey
PNIAQTXJVGYYMH-UHFFFAOYSA-N
Synonyms
443655-62-7
3benzyl66dimethyl1567tetrahydro4Hindazol4one
3BENZYL66DIMETHYL57DIHYDRO1HINDAZOL4ONE
443655627
66DIMETHYL3(PHENYLMETHYL)57DIHYDRO1HINDAZOL4ONE
66DIMETHYL3BENZYL1H567TRIHYDROINDAZOL4ONE
CC1(CC2=C(C(=O)C1)C(=NN2)CC3=CC=CC=C3)C
InChI=1SC16H18N2Oc116(2)91315(14(19)1016)12(171813)8116435711h37H810H212H3(H1718)
MFCD03486759
O=C1CC(C)(C)Cc2c1c(n(nH)2)Cc1ccccc1
ZINC000005129555
ZINC5129555

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Available files

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