Vitas-M small molecule compound
2-amino-4-(5-bromothiophen-2-yl)-1-(4-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK756202
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)Br)C(=O)CCC2)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 C20H15BrFN3OS MW 444.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrFN3OS/c21-17-9-8-16(27-17)18-13(10-23)20(24)25(12-6-4-11(22)5-7-12)14-2-1-3-15(26)19(14)18/h4-9,18H,1-3,24H2InChIKey
LAHIYSBLWUGZGM-UHFFFAOYSA-NSynonyms
2amino4(5bromothiophen2yl)1(4fluorophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(5bromothiophen2yl)1(4fluorophenyl)5oxo4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=CC=C(C=C3)F)N)C#N)C4=CC=C(S4)Br)C(=O)C1
InChI=1SC20H15BrFN3OSc21179816(2717)1813(1023)20(24)25(126411(22)5712)1421315(26)19(14)18h4918H1324H2
MFCD01233775
ZINC000000714155
ZINC000000714157
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