Vitas-M small molecule compound
methyl 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
STL175731
SMILES COC(=O)C1=C(C)NC2=C(C1c1cc(c(s1)C)CSc1ccc(cc1)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 C24H24ClNO3S2 MW 474.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24ClNO3S2/c1-13-21(24(28)29-3)23(22-18(26-13)5-4-6-19(22)27)20-11-15(14(2)31-20)12-30-17-9-7-16(25)8-10-17/h7-11,23,26H,4-6,12H2,1-3H3InChIKey
YYDCEOONTZBHIU-UHFFFAOYSA-NSynonyms
438223-56-4438223564
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(S3)C)CSC4=CC=C(C=C4)Cl)C(=O)OC
InChI=1SC24H24ClNO3S2c11321(24(28)293)23(2218(2613)54619(22)27)201115(14(2)3120)1230179716(25)81017h7112326H4612H213H3
methyl4(4(((4chlorophenyl)sulfanyl)methyl)5methylthiophen2yl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(4((4chlorophenyl)sulfanylmethyl)5methylthiophen2yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD03074730
ZINC000013881932
ZINC000013881933
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