Vitas-M small molecule compound
ethyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL175726
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cc(CSc3ccc(cc3)Cl)c(cc1C)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 C28H30ClNO3S MW 496.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30ClNO3S/c1-5-33-28(32)25-18(4)30-23-7-6-8-24(31)27(23)26(25)22-14-19(16(2)13-17(22)3)15-34-21-11-9-20(29)10-12-21/h9-14,26,30H,5-8,15H2,1-4H3InChIKey
LSDSUMJAEMWVLP-UHFFFAOYSA-NSynonyms
438224-19-2438224192
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3C)C)CSC4=CC=C(C=C4)Cl)C(=O)CCC2)C
ethyl4(5(((4chlorophenyl)sulfanyl)methyl)24dimethylphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(5((4chlorophenyl)sulfanylmethyl)24dimethylphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC28H30ClNO3Sc153328(32)2518(4)302376824(31)27(23)26(25)221419(16(2)1317(22)3)15342111920(29)101221h9142630H5815H214H3
MFCD03074797
ZINC000002111856
ZINC000002111860
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