Vitas-M small molecule compound
ethyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK421932
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCC)O)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 C25H27NO5S MW 453.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO5S/c1-4-30-20-13-15(8-9-18(20)27)23-22(25(29)31-5-2)14(3)26-17-11-16(12-19(28)24(17)23)21-7-6-10-32-21/h6-10,13,16,23,26-27H,4-5,11-12H2,1-3H3InChIKey
ONEFJMBIHQKOJU-UHFFFAOYSA-NSynonyms
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OCC)C)O
ethyl4(3ethoxy4hydroxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
ethyl4(3ethoxy4hydroxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC25H27NO5Sc1430201315(8918(20)27)2322(25(29)3152)14(3)26171116(1219(28)24(17)23)2176103221h6101316232627H451112H213H3
MFCD02627264
ZINC000008439703
ZINC000018144386
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