Vitas-M small molecule compound
2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK754196
SMILES N#CC1=C(N)N(c2ccccc2)C2=C(C1c1ccc(s1)Br)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 C22H20BrN3OS MW 454.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrN3OS/c1-22(2)10-15-20(16(27)11-22)19(17-8-9-18(23)28-17)14(12-24)21(25)26(15)13-6-4-3-5-7-13/h3-9,19H,10-11,25H2,1-2H3InChIKey
PVKGMSMELRJDHN-UHFFFAOYSA-NSynonyms
2amino4(5bromothiophen2yl)77dimethyl5oxo1phenyl145678hexahydroquinoline3carbonitrile
2AMINO4(5BROMOTHIOPHEN2YL)77DIMETHYL5OXO1PHENYL68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3)N)C#N)C4=CC=C(S4)Br)C(=O)C1)C
InChI=1SC22H20BrN3OSc122(2)101520(16(27)1122)19(178918(23)2817)14(1224)21(25)26(15)136435713h3919H101125H212H3
MFCD00825285
ZINC000000705433
ZINC000000705434
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