Vitas-M small molecule compound
2-amino-1-(4-bromo-2-methylphenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK768753
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(cc1)F)C(=O)CC(C2)(C)C)c1ccc(cc1C)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 C25H23BrFN3O MW 480.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23BrFN3O/c1-14-10-16(26)6-9-19(14)30-20-11-25(2,3)12-21(31)23(20)22(18(13-28)24(30)29)15-4-7-17(27)8-5-15/h4-10,22H,11-12,29H2,1-3H3InChIKey
PPLXCDSPYBJBQS-UHFFFAOYSA-NSynonyms
2amino1(4bromo2methylphenyl)4(4fluorophenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(4BROMO2METHYLPHENYL)4(4FLUOROPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1=C(C=CC(=C1)Br)N2C3=C(C(C(=C2N)C#N)C4=CC=C(C=C4)F)C(=O)CC(C3)(C)C
InChI=1SC25H23BrFN3Oc1141016(26)6919(14)30201125(23)1221(31)23(20)22(18(1328)24(30)29)154717(27)8515h41022H111229H213H3
MFCD03308160
ZINC000000716502
ZINC000000716503
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