Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK373574
SMILES N#CC1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)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 C18H16N2O3 MW 308.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O3/c1-10-12(8-19)17(18-13(20-10)3-2-4-14(18)21)11-5-6-15-16(7-11)23-9-22-15/h5-7,17,20H,2-4,9H2,1H3InChIKey
MVZWFSHHDPBDGC-UHFFFAOYSA-NSynonyms
4(13benzodioxol5yl)2methyl5oxo145678hexahydroquinoline3carbonitrile
4(13benzodioxol5yl)2methyl5oxo4678tetrahydro1Hquinoline3carbonitrile
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3)OCO4)C#N
InChI=1SC18H16N2O3c11012(819)17(1813(2010)32414(18)21)11561516(711)2392215h571720H249H21H3
MFCD00785440
ZINC000019760461
ZINC000019760464
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