Vitas-M small molecule compound
methyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK405641
SMILES COC(=O)C1=C(C)NC2=C(C1c1cc(Cl)c(c(c1)OC)O)C(=O)CC(C2)c1cccs1
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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 C23H22ClNO5S MW 459.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClNO5S/c1-11-19(23(28)30-3)20(13-7-14(24)22(27)17(10-13)29-2)21-15(25-11)8-12(9-16(21)26)18-5-4-6-31-18/h4-7,10,12,20,25,27H,8-9H2,1-3H3InChIKey
PUYATZHSSAFLMO-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C(=C4)Cl)O)OC)C(=O)OC
InChI=1SC23H22ClNO5Sc11119(23(28)303)20(13714(24)22(27)17(1013)292)2115(2511)812(916(21)26)185463118h471012202527H89H213H3
methyl4(3chloro4hydroxy5methoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
methyl4(3chloro4hydroxy5methoxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
MFCD04210841
ZINC000001148983
ZINC000001148994
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