Vitas-M small molecule compound
ethyl 4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methylthiophen-2-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL175519
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1sc(c(c1)COc1ccc(cc1C)Cl)C)C(=O)CC(C2)(C)C
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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 C28H32ClNO4S MW 514.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32ClNO4S/c1-7-33-27(32)24-16(3)30-20-12-28(5,6)13-21(31)25(20)26(24)23-11-18(17(4)35-23)14-34-22-9-8-19(29)10-15(22)2/h8-11,26,30H,7,12-14H2,1-6H3InChIKey
PNVIKXNOPUJVDI-UHFFFAOYSA-NSynonyms
438216-72-9438216729
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(S3)C)COC4=C(C=C(C=C4)Cl)C)C(=O)CC(C2)(C)C)C
ethyl4(4((4chloro2methylphenoxy)methyl)5methylthiophen2yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(4((4chloro2methylphenoxy)methyl)5methylthiophen2yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC28H32ClNO4Sc173327(32)2416(3)30201228(56)1321(31)25(20)26(24)231118(17(4)3523)1434229819(29)1015(22)2h8112630H71214H216H3
MFCD03074278
ZINC000002111318
ZINC000002111324
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