Vitas-M small molecule compound
2-amino-1-(4-bromo-2-fluorophenyl)-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK761056
SMILES N#CC1=C(N)N(C2=C(C1c1cscc1)C(=O)CCC2)c1ccc(cc1F)Br
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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/c21-12-4-5-15(14(22)8-12)25-16-2-1-3-17(26)19(16)18(11-6-7-27-10-11)13(9-23)20(25)24/h4-8,10,18H,1-3,24H2InChIKey
SEYABCJTAVLBJC-UHFFFAOYSA-NSynonyms
2amino1(4bromo2fluorophenyl)5oxo4(thiophen3yl)145678hexahydroquinoline3carbonitrile
2amino1(4bromo2fluorophenyl)5oxo4thiophen3yl4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=C(C=C(C=C3)Br)F)N)C#N)C4=CSC=C4)C(=O)C1
InChI=1SC20H15BrFN3OSc21124515(14(22)812)251621317(26)19(16)18(1167271011)13(923)20(25)24h481018H1324H2
MFCD01820476
ZINC000000707176
ZINC000000707177
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