Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK055617
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OC(C)C)C(=O)CC(C2)c1ccc(cc1)Cl
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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 C30H34ClNO4S MW 540.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34ClNO4S/c1-5-37-15-14-35-30(34)27-19(4)32-24-16-21(20-10-12-22(31)13-11-20)17-25(33)29(24)28(27)23-8-6-7-9-26(23)36-18(2)3/h6-13,18,21,28,32H,5,14-17H2,1-4H3InChIKey
KOOMBKMFZBOPKG-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl7(4chlorophenyl)2methyl5oxo4(2(propan2yloxy)phenyl)145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl7(4chlorophenyl)2methyl5oxo4(2propan2yloxyphenyl)4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OC(C)C)C(=O)CC(C2)c1ccc(cc1)Cl
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3OC(C)C)C(=O)CC(C2)C4=CC=C(C=C4)Cl)C
InChI=1SC30H34ClNO4Sc153715143530(34)2719(4)32241621(20101222(31)131120)1725(33)29(24)28(27)23867926(23)3618(2)3h61318212832H51417H214H3
MFCD01528054
STK055617
ZINC000100554272
ZINC000100554281
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