Vitas-M small molecule compound
2-amino-1-(2-cyanophenyl)-5-oxo-4-(pentafluorophenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL172979
SMILES N#CC1=C(N)N(C2=C(C1c1c(F)c(F)c(c(c1F)F)F)C(=O)CCC2)c1ccccc1C#N
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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 C23H13F5N4O MW 456.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H13F5N4O/c24-18-17(19(25)21(27)22(28)20(18)26)15-11(9-30)23(31)32(12-5-2-1-4-10(12)8-29)13-6-3-7-14(33)16(13)15/h1-2,4-5,15H,3,6-7,31H2InChIKey
UIJNLCVXQWAKHP-UHFFFAOYSA-NSynonyms
514837-89-92amino1(2cyanophenyl)5oxo4(23456pentafluorophenyl)4678tetrahydroquinoline3carbonitrile
2amino1(2cyanophenyl)5oxo4(pentafluorophenyl)145678hexahydroquinoline3carbonitrile
514837899
C1CC2=C(C(C(=C(N2C3=CC=CC=C3C#N)N)C#N)C4=C(C(=C(C(=C4F)F)F)F)F)C(=O)C1
InChI=1SC23H13F5N4Oc241817(19(25)21(27)22(28)20(18)26)1511(930)23(31)32(12521410(12)829)1363714(33)16(13)15h124515H36731H2
MFCD03757627
ZINC000002091310
ZINC000002091312
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