Vitas-M small molecule compound
ethyl 4-[5-(ethylsulfanyl)-2-methylfuran-3-yl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK683067
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cc(oc1C)SCC)C(=O)CCC2
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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 C20H25NO4S MW 375.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25NO4S/c1-5-24-20(23)17-11(3)21-14-8-7-9-15(22)19(14)18(17)13-10-16(26-6-2)25-12(13)4/h10,18,21H,5-9H2,1-4H3InChIKey
WRXFHHJADZUOLX-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC2=C(C1C3=C(OC(=C3)SCC)C)C(=O)CCC2)C
ethyl4(5(ethylsulfanyl)2methylfuran3yl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(5ethylsulfanyl2methylfuran3yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC20H25NO4Sc152420(23)1711(3)211487915(22)19(14)18(17)131016(2662)2512(13)4h101821H59H214H3
MFCD03883583
ZINC000001421402
ZINC000001421403
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