Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK780734
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2)c1cccc(c1)[N+](=O)[O-]
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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 C27H20N4O5 MW 480.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N4O5/c28-15-20-25(17-9-10-23-24(13-17)36-16-35-23)26-21(7-4-8-22(26)32)30(27(20)29-11-1-2-12-29)18-5-3-6-19(14-18)31(33)34/h1-3,5-6,9-14,25H,4,7-8,16H2InChIKey
FSXDBZUFYYZINV-UHFFFAOYSA-NSynonyms
4(13benzodioxol5yl)1(3nitrophenyl)5oxo2(1Hpyrrol1yl)145678hexahydroquinoline3carbonitrile
4(13benzodioxol5yl)1(3nitrophenyl)5oxo2pyrrol1yl4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=CC(=CC=C3)(N+)(=O)(O))N4C=CC=C4)C#N)C5=CC6=C(C=C5)OCO6)C(=O)C1
InChI=1SC27H20N4O5c28152025(179102324(1317)36163523)2621(74822(26)32)30(27(20)2911121229)1853619(1418)31(33)34h135691425H47816H2
MFCD06013568
N#CC1=C(n2cccc2)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2)c1cccc(c1)(N+)(=O)(O)
ZINC000001432033
ZINC000001432034
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