Vitas-M small molecule compound

1-[1-(2,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-tricyclo[3.3.1.1~3,7~]dec-1-ylurea

Catalog ID
STK450911
SMILES O=C(NC12CC3CC(C2)CC(C1)C3)Nc1c(C)nn(c1C)Cc1ccc(cc1Cl)Cl

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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 C23H28Cl2N4O MW 447.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28Cl2N4O/c1-13-21(14(2)29(28-13)12-18-3-4-19(24)8-20(18)25)26-22(30)27-23-9-15-5-16(10-23)7-17(6-15)11-23/h3-4,8,15-17H,5-7,9-12H2,1-2H3,(H2,26,27,30)
InChIKey
GQJVWWHRTDUBRI-UHFFFAOYSA-N
Synonyms

1(1(24dichlorobenzyl)35dimethyl1Hpyrazol4yl)3tricyclo(3311~37~)dec1ylurea
1(1ADAMANTYL)3(1((24DICHLOROPHENYL)METHYL)35DIMETHYL4PYRAZOLYL)UREA
1(1ADAMANTYL)3(1((24DICHLOROPHENYL)METHYL)35DIMETHYLPYRAZOL4YL)UREA
1(1ADAMANTYL)3(1(24DICHLOROBENZYL)35DIMETHYLPYRAZOL4YL)UREA
CC1=C(C(=NN1CC2=C(C=C(C=C2)Cl)Cl)C)NC(=O)NC34CC5CC(C3)CC(C5)C4
InChI=1SC23H28Cl2N4Oc11321(14(2)29(2813)12183419(24)820(18)25)2622(30)2723915516(1023)717(615)1123h3481517H57912H212H3(H2262730)
N(1ADAMANTYL)N(1(24DICHLOROBENZYL)35DIMETHYL1HPYRAZOL4YL)UREA
NADAMANTANYL((1((24DICHLOROPHENYL)METHYL)35DIMETHYLPYRAZOL4YL)AMINO)CARBOXAMIDE
ZINC000008454132
ZINC08454132
ZINC8454132

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Available files

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