Vitas-M small molecule compound
2-amino-4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK315810
SMILES N#CC1=C(N)N(C2=C(C1c1c(C)nn(c1Cl)c1ccccc1)C(=O)CCC2)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 C27H21ClF3N5O MW 523.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClF3N5O/c1-15-22(25(28)36(34-15)16-8-3-2-4-9-16)23-17(14-32)26(33)35(20-12-7-13-21(37)24(20)23)19-11-6-5-10-18(19)27(29,30)31/h2-6,8-11,23H,7,12-13,33H2,1H3InChIKey
DDCLNANMVKBINQ-UHFFFAOYSA-NSynonyms
492425-13-52amino4(5chloro3methyl1phenyl1Hpyrazol4yl)5oxo1(2(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
2amino4(5chloro3methyl1phenylpyrazol4yl)5oxo1(2(trifluoromethyl)phenyl)4678tetrahydroquinoline3carbonitrile
492425135
CC1=NN(C(=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC=C4C(F)(F)F)N)C#N)Cl)C5=CC=CC=C5
InChI=1SC27H21ClF3N5Oc11522(25(28)36(3415)168324916)2317(1432)26(33)35(201271321(37)24(20)23)1911651018(19)27(2930)31h2681123H7121333H21H3
MFCD02242978
ZINC000000647948
ZINC000000647949
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