Vitas-M small molecule compound
2-amino-4-(1,3-benzodioxol-5-yl)-1-(4-bromo-2-methylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK768848
SMILES N#CC1=C(N)N(C2=C(C1c1ccc3c(c1)OCO3)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 C26H24BrN3O3 MW 506.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24BrN3O3/c1-14-8-16(27)5-6-18(14)30-19-10-26(2,3)11-20(31)24(19)23(17(12-28)25(30)29)15-4-7-21-22(9-15)33-13-32-21/h4-9,23H,10-11,13,29H2,1-3H3InChIKey
GFZIMCWMXUYCFU-UHFFFAOYSA-NSynonyms
2amino4(13benzodioxol5yl)1(4bromo2methylphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(13BENZODIOXOL5YL)1(4BROMO2METHYLPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1=C(C=CC(=C1)Br)N2C3=C(C(C(=C2N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)CC(C3)(C)C
InChI=1SC26H24BrN3O3c114816(27)5618(14)30191026(23)1120(31)24(19)23(17(1228)25(30)29)15472122(915)33133221h4923H10111329H213H3
MFCD03308341
ZINC000000707308
ZINC000000707309
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