Vitas-M small molecule compound
propyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403139
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)[N+](=O)[O-])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 C25H26N2O7S MW 498.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O7S/c1-4-7-34-25(30)21-13(2)26-16-9-14(20-6-5-8-35-20)11-18(28)23(16)22(21)15-10-17(27(31)32)24(29)19(12-15)33-3/h5-6,8,10,12,14,22,26,29H,4,7,9,11H2,1-3H3InChIKey
ABEGTQXUQVCJAG-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)(N+)(=O)(O))O)C(=O)CC(C2)c1cccs1
CCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)OC)O)(N+)(=O)(O))C(=O)CC(C2)C4=CC=CS4)C
InChI=1SC25H26N2O7Sc1473425(30)2113(2)2616914(206583520)1118(28)23(16)22(21)151017(27(31)32)24(29)19(1215)333h568101214222629H47911H213H3
MFCD03146626
propyl4(4hydroxy3methoxy5nitrophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
propyl4(4hydroxy3methoxy5nitrophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
ZINC000096279715
ZINC000100134851
Check stock
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Check stock on Vitas-MAvailable files
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