Vitas-M small molecule compound
2-ethoxyethyl 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
STK089984
SMILES CCOCCOC(=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 C26H27NO6S MW 481.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO6S/c1-3-30-8-9-31-26(29)23-15(2)27-18-11-17(22-5-4-10-34-22)12-19(28)25(18)24(23)16-6-7-20-21(13-16)33-14-32-20/h4-7,10,13,17,24,27H,3,8-9,11-12,14H2,1-2H3InChIKey
XPDIMBXQCDBYTG-UHFFFAOYSA-NSynonyms
2ethoxyethyl4(13benzodioxol5yl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2ethoxyethyl4(13benzodioxol5yl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CCOCCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1cccs1
CCOCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CC(C2)C5=CC=CS5)C
InChI=1SC26H27NO6Sc1330893126(29)2315(2)27181117(2254103422)1219(28)25(18)24(23)16672021(1316)33143220h471013172427H389111214H212H3
MFCD02627278
STK089984
ZINC000002727165
ZINC000002727168
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