Vitas-M small molecule compound
propyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403013
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1cccs1
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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 C25H25NO5S MW 451.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO5S/c1-3-8-29-25(28)22-14(2)26-17-10-16(21-5-4-9-32-21)11-18(27)24(17)23(22)15-6-7-19-20(12-15)31-13-30-19/h4-7,9,12,16,23,26H,3,8,10-11,13H2,1-2H3InChIKey
VIHZJCWMFKFMPL-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CC(C2)C5=CC=CS5)C
InChI=1SC25H25NO5Sc1382925(28)2214(2)26171016(215493221)1118(27)24(17)23(22)15671920(1215)31133019h47912162326H38101113H212H3
MFCD03145526
propyl4(13benzodioxol5yl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
propyl4(13benzodioxol5yl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
ZINC000002772012
ZINC000002772015
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