Vitas-M small molecule compound
2-amino-5-oxo-4-(thiophen-3-yl)-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK673455
SMILES N#CC1=C(N)N(C2=C(C1c1ccsc1)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 C21H16F3N3OS MW 415.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16F3N3OS/c22-21(23,24)14-4-1-2-5-15(14)27-16-6-3-7-17(28)19(16)18(12-8-9-29-11-12)13(10-25)20(27)26/h1-2,4-5,8-9,11,18H,3,6-7,26H2InChIKey
XNPZZNHPVNJQSF-UHFFFAOYSA-NSynonyms
2amino5oxo4(thiophen3yl)1(2(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
2amino5oxo4thiophen3yl1(2(trifluoromethyl)phenyl)4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=CC=CC=C3C(F)(F)F)N)C#N)C4=CSC=C4)C(=O)C1
InChI=1SC21H16F3N3OSc2221(2324)14412515(14)271663717(28)19(16)18(1289291112)13(1025)20(27)26h1245891118H36726H2
MFCD01239435
ZINC000000705631
ZINC000000705632
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