Vitas-M small molecule compound
2-phenoxyethyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402898
SMILES Cc1ccc(o1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCCOc1ccccc1
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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 C28H27NO5S MW 489.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO5S/c1-17-10-11-23(34-17)27-25(28(31)33-13-12-32-20-7-4-3-5-8-20)18(2)29-21-15-19(16-22(30)26(21)27)24-9-6-14-35-24/h3-11,14,19,27,29H,12-13,15-16H2,1-2H3InChIKey
XHAWPWKLQFZLOS-UHFFFAOYSA-NSynonyms
2phenoxyethyl2methyl4(5methylfuran2yl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2phenoxyethyl2methyl4(5methylfuran2yl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=CC=C(O1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OCCOC5=CC=CC=C5)C
InChI=1SC28H27NO5Sc117101123(3417)2725(28(31)33131232207435820)18(2)29211519(1622(30)26(21)27)2496143524h31114192729H12131516H212H3
MFCD03145383
ZINC000009600937
ZINC000009600940
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