Vitas-M small molecule compound
2-amino-4-(4-bromothiophen-2-yl)-1-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK755861
SMILES N#CC1=C(N)N(C2=C(C1c1scc(c1)Br)C(=O)CC(C2)(C)C)c1ccc(cc1)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 C22H19BrFN3OS MW 472.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrFN3OS/c1-22(2)8-16-20(17(28)9-22)19(18-7-12(23)11-29-18)15(10-25)21(26)27(16)14-5-3-13(24)4-6-14/h3-7,11,19H,8-9,26H2,1-2H3InChIKey
ZYMQDSCZWUKKIM-UHFFFAOYSA-NSynonyms
2amino4(4bromothiophen2yl)1(4fluorophenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(4BROMOTHIOPHEN2YL)1(4FLUOROPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)F)N)C#N)C4=CC(=CS4)Br)C(=O)C1)C
InChI=1SC22H19BrFN3OSc122(2)81620(17(28)922)19(18712(23)112918)15(1025)21(26)27(16)145313(24)4614h371119H8926H212H3
MFCD01113836
ZINC000000705719
ZINC000000705720
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