Vitas-M small molecule compound
2-methoxyethyl 4-(3-hydroxy-4-methoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK051031
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)O)OC)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 C25H27NO6S MW 469.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO6S/c1-14-22(25(29)32-9-8-30-2)23(15-6-7-20(31-3)18(27)12-15)24-17(26-14)11-16(13-19(24)28)21-5-4-10-33-21/h4-7,10,12,16,23,26-27H,8-9,11,13H2,1-3H3InChIKey
ONCRXQBLNLMAFX-UHFFFAOYSA-NSynonyms
2methoxyethyl4(3hydroxy4methoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2methoxyethyl4(3hydroxy4methoxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C=C4)OC)O)C(=O)OCCOC
COCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)O)OC)C(=O)CC(C2)c1cccs1
InChI=1SC25H27NO6Sc11422(25(29)3298302)23(156720(313)18(27)1215)2417(2614)1116(1319(24)28)2154103321h47101216232627H891113H213H3
MFCD02627339
STK051031
ZINC000002771971
ZINC000002771974
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