Vitas-M small molecule compound
methyl 7-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403450
SMILES CCOc1ccc(cc1OC)C1CC(=O)C2=C(C1)NC(=C(C2c1cccs1)C(=O)OC)C
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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 C25H27NO5S MW 453.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO5S/c1-5-31-19-9-8-15(13-20(19)29-3)16-11-17-23(18(27)12-16)24(21-7-6-10-32-21)22(14(2)26-17)25(28)30-4/h6-10,13,16,24,26H,5,11-12H2,1-4H3InChIKey
NPSVEBMPSUJKIU-UHFFFAOYSA-NSynonyms
CCOC1=C(C=C(C=C1)C2CC3=C(C(C(=C(N3)C)C(=O)OC)C4=CC=CS4)C(=O)C2)OC
InChI=1SC25H27NO5Sc1531199815(1320(19)293)16111723(18(27)1216)24(2176103221)22(14(2)2617)25(28)304h61013162426H51112H214H3
methyl7(4ethoxy3methoxyphenyl)2methyl5oxo4(thiophen2yl)145678hexahydroquinoline3carboxylate
methyl7(4ethoxy3methoxyphenyl)2methyl5oxo4thiophen2yl4678tetrahydro1Hquinoline3carboxylate
MFCD03489285
ZINC000008430353
ZINC000008430361
ZINC08430361
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