Vitas-M small molecule compound
2-amino-4-(1,3-benzodioxol-5-yl)-1-(4-bromophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK754046
SMILES N#CC1=C(N)N(c2ccc(cc2)Br)C2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2
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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 C23H18BrN3O3 MW 464.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18BrN3O3/c24-14-5-7-15(8-6-14)27-17-2-1-3-18(28)22(17)21(16(11-25)23(27)26)13-4-9-19-20(10-13)30-12-29-19/h4-10,21H,1-3,12,26H2InChIKey
UYYSJLJDBIAFKX-UHFFFAOYSA-NSynonyms
311332-80-62amino4(13benzodioxol5yl)1(4bromophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(13benzodioxol5yl)1(4bromophenyl)5oxo4678tetrahydroquinoline3carbonitrile
311332806
C1CC2=C(C(C(=C(N2C3=CC=C(C=C3)Br)N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)C1
InChI=1SC23H18BrN3O3c24145715(8614)271721318(28)22(17)21(16(1125)23(27)26)13491920(1013)30122919h41021H131226H2
MFCD00825009
ZINC000001056441
ZINC000001056443
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