Vitas-M small molecule compound
2-amino-4-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK754320
SMILES N#CC1=C(N)N(c2ccc(cc2)Cl)C2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C
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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 C25H22ClN3O3 MW 447.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN3O3/c1-25(2)10-18-23(19(30)11-25)22(14-3-8-20-21(9-14)32-13-31-20)17(12-27)24(28)29(18)16-6-4-15(26)5-7-16/h3-9,22H,10-11,13,28H2,1-2H3InChIKey
HDOPEVUQHRHQAQ-UHFFFAOYSA-NSynonyms
2amino4(13benzodioxol5yl)1(4chlorophenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(13BENZODIOXOL5YL)1(4CHLOROPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)Cl)N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)C1)C
InChI=1SC25H22ClN3O3c125(2)101823(19(30)1125)22(14382021(914)32133120)17(1227)24(28)29(18)166415(26)5716h3922H10111328H212H3
MFCD00825559
ZINC000000705475
ZINC000000705476
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