Vitas-M small molecule compound
2-amino-4-(4-bromothiophen-2-yl)-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK673291
SMILES N#CC1=C(N)N(C2=C(C1c1scc(c1)Br)C(=O)CC(C2)(C)C)c1ccccc1C(F)(F)F
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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 C23H19BrF3N3OS MW 522.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19BrF3N3OS/c1-22(2)8-16-20(17(31)9-22)19(18-7-12(24)11-32-18)13(10-28)21(29)30(16)15-6-4-3-5-14(15)23(25,26)27/h3-7,11,19H,8-9,29H2,1-2H3InChIKey
VDXXESKEAORKSO-UHFFFAOYSA-NSynonyms
2amino4(4bromothiophen2yl)77dimethyl5oxo1(2(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
2AMINO4(4BROMOTHIOPHEN2YL)77DIMETHYL5OXO1(2(TRIFLUOROMETHYL)PHENYL)68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3C(F)(F)F)N)C#N)C4=CC(=CS4)Br)C(=O)C1)C
InChI=1SC23H19BrF3N3OSc122(2)81620(17(31)922)19(18712(24)113218)13(1028)21(29)30(16)15643514(15)23(2526)27h371119H8929H212H3
MFCD01113763
ZINC000000713568
ZINC000000713569
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