Vitas-M small molecule compound
ethyl 4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methylthiophen-2-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK955977
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1sc(c(c1)COc1ccc(cc1C)Cl)C)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 C26H28ClNO4S MW 486.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28ClNO4S/c1-5-31-26(30)23-15(3)28-19-7-6-8-20(29)24(19)25(23)22-12-17(16(4)33-22)13-32-21-10-9-18(27)11-14(21)2/h9-12,25,28H,5-8,13H2,1-4H3InChIKey
KBMGVPQKQXWVMV-UHFFFAOYSA-NSynonyms
438214-92-7438214927
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(S3)C)COC4=C(C=C(C=C4)Cl)C)C(=O)CCC2)C
ethyl4(4((4chloro2methylphenoxy)methyl)5methylthiophen2yl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(4((4chloro2methylphenoxy)methyl)5methylthiophen2yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC26H28ClNO4Sc153126(30)2315(3)281976820(29)24(19)25(23)221217(16(4)3322)13322110918(27)1114(21)2h9122528H5813H214H3
MFCD03074153
ZINC000000650612
ZINC000000650616
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