Vitas-M small molecule compound
2-amino-4-(1,3-benzodioxol-5-yl)-1-(4-bromo-2-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK959200
SMILES N#CC1=C(N)N(C2=C(C1c1ccc3c(c1)OCO3)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 C23H17BrFN3O3 MW 482.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17BrFN3O3/c24-13-5-6-16(15(25)9-13)28-17-2-1-3-18(29)22(17)21(14(10-26)23(28)27)12-4-7-19-20(8-12)31-11-30-19/h4-9,21H,1-3,11,27H2InChIKey
NWFBZXUIYBBVEW-UHFFFAOYSA-NSynonyms
438530-03-12amino4(13benzodioxol5yl)1(4bromo2fluorophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(13benzodioxol5yl)1(4bromo2fluorophenyl)5oxo4678tetrahydroquinoline3carbonitrile
438530031
C1CC2=C(C(C(=C(N2C3=C(C=C(C=C3)Br)F)N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)C1
InChI=1SC23H17BrFN3O3c24135616(15(25)913)281721318(29)22(17)21(14(1026)23(28)27)12471920(812)31113019h4921H131127H2
MFCD02174861
ZINC000000995816
ZINC000000995817
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