Vitas-M small molecule compound
2-amino-4-(4-bromothiophen-2-yl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK754787
SMILES N#CC1=C(N)N(C2=C(C1c1scc(c1)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/c1-13-4-6-15(7-5-13)27-17-9-23(2,3)10-18(28)21(17)20(16(11-25)22(27)26)19-8-14(24)12-29-19/h4-8,12,20H,9-10,26H2,1-3H3InChIKey
ALWMDFMYMPJAND-UHFFFAOYSA-NSynonyms
2amino4(4bromothiophen2yl)77dimethyl1(4methylphenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(4BROMOTHIOPHEN2YL)77DIMETHYL1(4METHYLPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC(=CS4)Br)C(=O)CC(C3)(C)C
InChI=1SC23H22BrN3OSc1134615(7513)2717923(23)1018(28)21(17)20(16(1125)22(27)26)19814(24)122919h481220H91026H213H3
MFCD00826640
ZINC000001057279
ZINC000001057281
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