Vitas-M small molecule compound

ethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK403470
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cc(OCC)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/c1-4-33-19-12-15(10-17(24(19)29)27(31)32)22-21(25(30)34-5-2)13(3)26-16-9-14(11-18(28)23(16)22)20-7-6-8-35-20/h6-8,10,12,14,22,26,29H,4-5,9,11H2,1-3H3
InChIKey
NOWGYVQRGTUGCT-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(C)NC2=C(C1c1cc(OCC)c(c(c1)(N+)(=O)(O))O)C(=O)CC(C2)c1cccs1
CCOC1=CC(=CC(=C1O)(N+)(=O)(O))C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OCC)C
ethyl4(3ethoxy4hydroxy5nitrophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
ethyl4(3ethoxy4hydroxy5nitrophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC25H26N2O7Sc1433191215(1017(24(19)29)27(31)32)2221(25(30)3452)13(3)2616914(1118(28)23(16)22)207683520h68101214222629H45911H213H3
MFCD03489316
ZINC000096279718
ZINC000096279721

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Available files

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