Vitas-M small molecule compound

2-amino-1-(3-bromophenyl)-7,7-dimethyl-5-oxo-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK960094
SMILES N#CC1=C(N)N(c2cccc(c2)Br)C2=C(C1c1c(C)nn(c1C)C)C(=O)CC(C2)(C)C

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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 C24H26BrN5O MW 480.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26BrN5O/c1-13-20(14(2)29(5)28-13)21-17(12-26)23(27)30(16-8-6-7-15(25)9-16)18-10-24(3,4)11-19(31)22(18)21/h6-9,21H,10-11,27H2,1-5H3
InChIKey
NDOQZXFNQGCZEX-UHFFFAOYSA-N
Synonyms
491831-01-7
2amino1(3bromophenyl)77dimethyl5oxo4(135trimethyl1Hpyrazol4yl)145678hexahydroquinoline3carbonitrile
2AMINO1(3BROMOPHENYL)77DIMETHYL5OXO4(135TRIMETHYLPYRAZOL4YL)68DIHYDRO4HQUINOLINE3CARBONITRILE
491831017
CC1=C(C(=NN1C)C)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC(=CC=C4)Br)N)C#N
InChI=1SC24H26BrN5Oc11320(14(2)29(5)2813)2117(1226)23(27)30(1686715(25)916)181024(34)1119(31)22(18)21h6921H101127H215H3
MFCD03071659
ZINC000000680104
ZINC000000680105

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Available files

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