Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(1,3-benzodioxol-5-yl)-7-(2-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK055629
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1ccccc1Cl
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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 C28H28ClNO5S MW 526.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClNO5S/c1-3-36-11-10-33-28(32)25-16(2)30-21-12-18(19-6-4-5-7-20(19)29)13-22(31)27(21)26(25)17-8-9-23-24(14-17)35-15-34-23/h4-9,14,18,26,30H,3,10-13,15H2,1-2H3InChIKey
BRGYAACOBCBHKX-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(13benzodioxol5yl)7(2chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(13benzodioxol5yl)7(2chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1ccccc1Cl
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CC(C2)C5=CC=CC=C5Cl)C
InChI=1SC28H28ClNO5Sc133611103328(32)2516(2)30211218(19645720(19)29)1322(31)27(21)26(25)17892324(1417)35153423h4914182630H3101315H212H3
MFCD03312495
STK055629
ZINC000002762161
ZINC000002762164
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