Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK780719
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2)c1cccc(c1)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 C28H23N3O3 MW 449.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O3/c1-18-6-4-7-20(14-18)31-22-8-5-9-23(32)27(22)26(19-10-11-24-25(15-19)34-17-33-24)21(16-29)28(31)30-12-2-3-13-30/h2-4,6-7,10-15,26H,5,8-9,17H2,1H3InChIKey
UXSBMNWEVVWTQU-UHFFFAOYSA-NSynonyms
4(13benzodioxol5yl)1(3methylphenyl)5oxo2(1Hpyrrol1yl)145678hexahydroquinoline3carbonitrile
4(13benzodioxol5yl)1(3methylphenyl)5oxo2pyrrol1yl4678tetrahydroquinoline3carbonitrile
CC1=CC(=CC=C1)N2C3=C(C(C(=C2N4C=CC=C4)C#N)C5=CC6=C(C=C5)OCO6)C(=O)CCC3
InChI=1SC28H23N3O3c11864720(1418)312285923(32)27(22)26(1910112425(1519)34173324)21(1629)28(31)3012231330h2467101526H58917H21H3
MFCD06013552
ZINC000001432007
ZINC000001432008
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