Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK010577
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCC)OC(=O)C)C(=O)CC(C2)c1ccc(cc1)OC
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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 C32H37NO7S MW 579.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37NO7S/c1-6-38-28-18-22(10-13-27(28)40-20(4)34)30-29(32(36)39-14-15-41-7-2)19(3)33-25-16-23(17-26(35)31(25)30)21-8-11-24(37-5)12-9-21/h8-13,18,23,30,33H,6-7,14-17H2,1-5H3InChIKey
VONVIVQCDRGQAX-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(4(acetyloxy)3ethoxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(4acetyloxy3ethoxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC(=C2C(=O)OCCSCC)C)OC(=O)C
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCC)OC(=O)C)C(=O)CC(C2)c1ccc(cc1)OC
InChI=1SC32H37NO7Sc1638281822(101327(28)4020(4)34)3029(32(36)3914154172)19(3)33251623(1726(35)31(25)30)2181124(375)12921h81318233033H671417H215H3
MFCD02632921
STK010577
ZINC000100690731
ZINC000100690748
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