Vitas-M small molecule compound
2-amino-4-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK754872
SMILES N#CC1=C(N)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C)c1cccc(c1C)Cl
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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 C26H24ClN3O3 MW 461.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24ClN3O3/c1-14-17(27)5-4-6-18(14)30-19-10-26(2,3)11-20(31)24(19)23(16(12-28)25(30)29)15-7-8-21-22(9-15)33-13-32-21/h4-9,23H,10-11,13,29H2,1-3H3InChIKey
JOLBAFOCXRXSDQ-UHFFFAOYSA-NSynonyms
2amino4(13benzodioxol5yl)1(3chloro2methylphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(13BENZODIOXOL5YL)1(3CHLORO2METHYLPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1=C(C=CC=C1Cl)N2C3=C(C(C(=C2N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)CC(C3)(C)C
InChI=1SC26H24ClN3O3c11417(27)54618(14)30191026(23)1120(31)24(19)23(16(1228)25(30)29)15782122(915)33133221h4923H10111329H213H3
MFCD00826834
ZINC000000713626
ZINC000000713628
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