Vitas-M small molecule compound
methyl 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
STK956057
SMILES COC(=O)C1=C(C)NC2=C(C1c1cc(c(s1)C)COc1ccc(cc1C)Cl)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 C25H26ClNO4S MW 472.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26ClNO4S/c1-13-10-17(26)8-9-20(13)31-12-16-11-21(32-15(16)3)24-22(25(29)30-4)14(2)27-18-6-5-7-19(28)23(18)24/h8-11,24,27H,5-7,12H2,1-4H3InChIKey
VODSQSNBIQTBJQ-UHFFFAOYSA-NSynonyms
438216-90-1438216901
CC1=C(C=CC(=C1)Cl)OCC2=C(SC(=C2)C3C4=C(CCCC4=O)NC(=C3C(=O)OC)C)C
InChI=1SC25H26ClNO4Sc1131017(26)8920(13)3112161121(3215(16)3)2422(25(29)304)14(2)271865719(28)23(18)24h8112427H5712H214H3
methyl4(4((4chloro2methylphenoxy)methyl)5methylthiophen2yl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(4((4chloro2methylphenoxy)methyl)5methylthiophen2yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD03074219
ZINC000008441693
ZINC000008441694
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