Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-1-(3,5-dichlorophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK780722
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2)c1cc(Cl)cc(c1)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 C27H19Cl2N3O3 MW 504.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19Cl2N3O3/c28-17-11-18(29)13-19(12-17)32-21-4-3-5-22(33)26(21)25(16-6-7-23-24(10-16)35-15-34-23)20(14-30)27(32)31-8-1-2-9-31/h1-2,6-13,25H,3-5,15H2InChIKey
FKWUOXLBZPJBSV-UHFFFAOYSA-NSynonyms
4(13benzodioxol5yl)1(35dichlorophenyl)5oxo2(1Hpyrrol1yl)145678hexahydroquinoline3carbonitrile
4(13benzodioxol5yl)1(35dichlorophenyl)5oxo2pyrrol1yl4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=CC(=CC(=C3)Cl)Cl)N4C=CC=C4)C#N)C5=CC6=C(C=C5)OCO6)C(=O)C1
InChI=1SC27H19Cl2N3O3c28171118(29)1319(1217)322143522(33)26(21)25(16672324(1016)35153423)20(1430)27(32)31812931h1261325H3515H2
MFCD06013555
ZINC000001432013
ZINC000001432014
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