Vitas-M small molecule compound

2-methoxyethyl 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
STK402814
SMILES COCCOC(=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 C25H26N2O8S MW 514.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O8S/c1-13-21(25(30)35-7-6-33-2)22(15-10-17(27(31)32)24(29)19(12-15)34-3)23-16(26-13)9-14(11-18(23)28)20-5-4-8-36-20/h4-5,8,10,12,14,22,26,29H,6-7,9,11H2,1-3H3
InChIKey
JQAGCCUVUJTOIP-UHFFFAOYSA-N
Synonyms

2methoxyethyl4(4hydroxy3methoxy5nitrophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2methoxyethyl4(4hydroxy3methoxy5nitrophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C(=C4)OC)O)(N+)(=O)(O))C(=O)OCCOC
COCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)(N+)(=O)(O))O)C(=O)CC(C2)c1cccs1
InChI=1SC25H26N2O8Sc11321(25(30)3576332)22(151017(27(31)32)24(29)19(1215)343)2316(2613)914(1118(23)28)205483620h458101214222629H67911H213H3
MFCD02868533
ZINC000095201988
ZINC000095201991

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Available files

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