Vitas-M small molecule compound

2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK754913
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)Br)C(=O)CC(C2)(C)C)c1ccc(cc1)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 C23H22BrN3OS MW 468.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22BrN3OS/c1-13-4-6-14(7-5-13)27-16-10-23(2,3)11-17(28)21(16)20(15(12-25)22(27)26)18-8-9-19(24)29-18/h4-9,20H,10-11,26H2,1-3H3
InChIKey
UAFZOLFYATWDGI-UHFFFAOYSA-N
Synonyms
311325-89-0
2amino4(5bromothiophen2yl)77dimethyl1(4methylphenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(5BROMOTHIOPHEN2YL)77DIMETHYL1(4METHYLPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
311325890
CC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(S4)Br)C(=O)CC(C3)(C)C
InChI=1SC23H22BrN3OSc1134614(7513)27161023(23)1117(28)21(16)20(15(1225)22(27)26)188919(24)2918h4920H101126H213H3
MFCD00826965
ZINC000000705423
ZINC000000705424

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Available files

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