Vitas-M small molecule compound
ethyl 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
STK402804
SMILES CCOC(=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 C24H24N2O7S MW 484.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N2O7S/c1-4-33-24(29)20-12(2)25-15-8-13(19-6-5-7-34-19)10-17(27)22(15)21(20)14-9-16(26(30)31)23(28)18(11-14)32-3/h5-7,9,11,13,21,25,28H,4,8,10H2,1-3H3InChIKey
PKCUYSMZECYVQR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)(N+)(=O)(O))O)C(=O)CC(C2)c1cccs1
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)OC)O)(N+)(=O)(O))C(=O)CC(C2)C4=CC=CS4)C
ethyl4(4hydroxy3methoxy5nitrophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
ethyl4(4hydroxy3methoxy5nitrophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC24H24N2O7Sc143324(29)2012(2)2515813(196573419)1017(27)22(15)21(20)14916(26(30)31)23(28)18(1114)323h5791113212528H4810H213H3
MFCD02868516
ZINC000096279685
ZINC000096279688
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