Vitas-M small molecule compound

2-ethoxyethyl 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
STK402906
SMILES CCOCCOC(=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 C27H30N2O8S MW 542.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O8S/c1-4-35-8-9-37-27(32)23-15(3)28-18-11-16(22-7-6-10-38-22)13-20(30)25(18)24(23)17-12-19(29(33)34)26(31)21(14-17)36-5-2/h6-7,10,12,14,16,24,28,31H,4-5,8-9,11,13H2,1-3H3
InChIKey
ZMHVVIMSWCRRRY-UHFFFAOYSA-N
Synonyms

2ethoxyethyl4(3ethoxy4hydroxy5nitrophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2ethoxyethyl4(3ethoxy4hydroxy5nitrophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CCOCCOC(=O)C1=C(C)NC2=C(C1c1cc(OCC)c(c(c1)(N+)(=O)(O))O)C(=O)CC(C2)c1cccs1
CCOCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)OCC)O)(N+)(=O)(O))C(=O)CC(C2)C4=CC=CS4)C
InChI=1SC27H30N2O8Sc1435893727(32)2315(3)28181116(2276103822)1320(30)25(18)24(23)171219(29(33)34)26(31)21(1417)3652h6710121416242831H45891113H213H3
MFCD03370941
ZINC000029748164
ZINC000029748170

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Available files

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