Vitas-M small molecule compound

2-amino-7,7-dimethyl-5-oxo-4-phenyl-1-(4H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK233688
SMILES N#CC1=C(N)N(C2=C(C1c1ccccc1)C(=O)CC(C2)(C)C)c1[nH]cnn1

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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 C20H20N6O MW 360.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N6O/c1-20(2)8-14-17(15(27)9-20)16(12-6-4-3-5-7-12)13(10-21)18(22)26(14)19-23-11-24-25-19/h3-7,11,16H,8-9,22H2,1-2H3,(H,23,24,25)
InChIKey
NRGXTDBLDKCQKZ-UHFFFAOYSA-N
Synonyms
442522-73-8
2AMINO77DIMETHYL5OXO4PHENYL1(1H124TRIAZOL5YL)68DIHYDRO4HQUINOLINE3CARBONITRILE
2amino77dimethyl5oxo4phenyl1(4H124triazol3yl)145678hexahydroquinoline3carbonitrile
442522738
CC1(CC2=C(C(C(=C(N2C3=NC=NN3)N)C#N)C4=CC=CC=C4)C(=O)C1)C
InChI=1SC20H20N6Oc120(2)81417(15(27)920)16(126435712)13(1021)18(22)26(14)192311242519h371116H8922H212H3(H232425)
MFCD06755240
N#CC1=C(N)N(C2=C(C1c1ccccc1)C(=O)CC(C2)(C)C)c1(nH)cnn1
ZINC000008559530
ZINC000008559532

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Available files

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