Vitas-M small molecule compound
ethyl 4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methylthiophen-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL175733
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1sc(c(c1)CSc1ccc(cc1)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 C25H26ClNO3S2 MW 488.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26ClNO3S2/c1-4-30-25(29)22-14(2)27-19-6-5-7-20(28)23(19)24(22)21-12-16(15(3)32-21)13-31-18-10-8-17(26)9-11-18/h8-12,24,27H,4-7,13H2,1-3H3InChIKey
XKGPGYQMCZLKPW-UHFFFAOYSA-NSynonyms
438222-96-9438222969
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(S3)C)CSC4=CC=C(C=C4)Cl)C(=O)CCC2)C
ethyl4(4(((4chlorophenyl)sulfanyl)methyl)5methylthiophen2yl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(4((4chlorophenyl)sulfanylmethyl)5methylthiophen2yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC25H26ClNO3S2c143025(29)2214(2)271965720(28)23(19)24(22)211216(15(3)3221)13311810817(26)91118h8122427H4713H213H3
MFCD03074651
ZINC000002743908
ZINC000002743909
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