Vitas-M small molecule compound
1'-(3-chloro-4-fluorophenyl)-1-methyl-2,5'-dioxo-2'-(1H-pyrrol-1-yl)-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Catalog ID
STK783696
SMILES N#CC1=C(n2cccc2)N(c2ccc(c(c2)Cl)F)C2=C(C31c1ccccc1N(C3=O)C)C(=O)CCC2
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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 C28H20ClFN4O2 MW 498.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20ClFN4O2/c1-32-22-8-3-2-7-18(22)28(27(32)36)19(16-31)26(33-13-4-5-14-33)34(17-11-12-21(30)20(29)15-17)23-9-6-10-24(35)25(23)28/h2-5,7-8,11-15H,6,9-10H2,1H3InChIKey
FIGSTQYPQVDVAF-UHFFFAOYSA-NSynonyms
1(3chloro4fluorophenyl)1methyl25dioxo2(1Hpyrrol1yl)125678hexahydro1Hspiro(indole34quinoline)3carbonitrile
1(3CHLORO4FLUOROPHENYL)1METHYL25DIOXO2PYRROL1YLSPIRO(78DIHYDRO6HQUINOLINE43INDOLE)3CARBONITRILE
CN1C2=CC=CC=C2C3(C1=O)C(=C(N(C4=C3C(=O)CCC4)C5=CC(=C(C=C5)F)Cl)N6C=CC=C6)C#N
InChI=1SC28H20ClFN4O2c13222832718(22)28(27(32)36)19(1631)26(3313451433)34(17111221(30)20(29)1517)23961024(35)25(23)28h25781115H6910H21H3
MFCD06618848
ZINC000012416849
ZINC000012416852
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