Vitas-M small molecule compound
2-amino-4-(5-tert-butylthiophen-2-yl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK756438
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)C(C)(C)C)C(=O)CCC2)c1cc(ccc1Cl)C(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 C25H23ClF3N3OS MW 505.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClF3N3OS/c1-24(2,3)20-10-9-19(34-20)21-14(12-30)23(31)32(16-5-4-6-18(33)22(16)21)17-11-13(25(27,28)29)7-8-15(17)26/h7-11,21H,4-6,31H2,1-3H3InChIKey
YIDSHHCWISIMQS-UHFFFAOYSA-NSynonyms
2amino4(5tertbutylthiophen2yl)1(2chloro5(trifluoromethyl)phenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(5tertbutylthiophen2yl)1(2chloro5(trifluoromethyl)phenyl)5oxo4678tetrahydroquinoline3carbonitrile
CC(C)(C)C1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=CC(=C4)C(F)(F)F)Cl)N)C#N
InChI=1SC25H23ClF3N3OSc124(23)2010919(3420)2114(1230)23(31)32(1654618(33)22(16)21)171113(25(2728)29)7815(17)26h71121H4631H213H3
MFCD01240223
ZINC000002187808
ZINC000002187809
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