Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-1-(4-bromophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK780723
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2)c1ccc(cc1)Br
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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 C27H20BrN3O3 MW 514.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20BrN3O3/c28-18-7-9-19(10-8-18)31-21-4-3-5-22(32)26(21)25(17-6-11-23-24(14-17)34-16-33-23)20(15-29)27(31)30-12-1-2-13-30/h1-2,6-14,25H,3-5,16H2InChIKey
VRIOSIQRYJFWDO-UHFFFAOYSA-NSynonyms
4(13benzodioxol5yl)1(4bromophenyl)5oxo2(1Hpyrrol1yl)145678hexahydroquinoline3carbonitrile
4(13benzodioxol5yl)1(4bromophenyl)5oxo2pyrrol1yl4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=CC=C(C=C3)Br)N4C=CC=C4)C#N)C5=CC6=C(C=C5)OCO6)C(=O)C1
InChI=1SC27H20BrN3O3c28187919(10818)312143522(32)26(21)25(176112324(1417)34163323)20(1529)27(31)3012121330h1261425H3516H2
MFCD06013556
ZINC000001432015
ZINC000001432016
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