Vitas-M small molecule compound
4-methoxybenzyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403080
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1ccc(o1)C)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 C28H27NO5S MW 489.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO5S/c1-16-6-11-23(34-16)27-25(28(31)33-15-18-7-9-20(32-3)10-8-18)17(2)29-21-13-19(14-22(30)26(21)27)24-5-4-12-35-24/h4-12,19,27,29H,13-15H2,1-3H3InChIKey
OLCKBVIUMJUNFE-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)methyl2methyl4(5methylfuran2yl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
4methoxybenzyl2methyl4(5methylfuran2yl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
CC1=CC=C(O1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OCC5=CC=C(C=C5)OC)C
InChI=1SC28H27NO5Sc11661123(3416)2725(28(31)3315187920(323)10818)17(2)29211319(1422(30)26(21)27)2454123524h412192729H1315H213H3
MFCD03146686
ZINC000008926924
ZINC000018143784
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