Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-1-(2,4-difluorophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK780727
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2)c1ccc(cc1F)F
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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 C27H19F2N3O3 MW 471.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19F2N3O3/c28-17-7-8-20(19(29)13-17)32-21-4-3-5-22(33)26(21)25(16-6-9-23-24(12-16)35-15-34-23)18(14-30)27(32)31-10-1-2-11-31/h1-2,6-13,25H,3-5,15H2InChIKey
FKAFYAXYBPUEIM-UHFFFAOYSA-NSynonyms
4(13benzodioxol5yl)1(24difluorophenyl)5oxo2(1Hpyrrol1yl)145678hexahydroquinoline3carbonitrile
4(13benzodioxol5yl)1(24difluorophenyl)5oxo2pyrrol1yl4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=C(C=C(C=C3)F)F)N4C=CC=C4)C#N)C5=CC6=C(C=C5)OCO6)C(=O)C1
InChI=1SC27H19F2N3O3c28177820(19(29)1317)322143522(33)26(21)25(16692324(1216)35153423)18(1430)27(32)3110121131h1261325H3515H2
MFCD06013560
ZINC000001432023
ZINC000001432024
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