Vitas-M small molecule compound

propyl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK064410
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])O)C(=O)CC(C2)(C)C

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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 C22H26N2O6 MW 414.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O6/c1-5-8-30-21(27)18-12(2)23-14-10-22(3,4)11-17(26)20(14)19(18)13-6-7-16(25)15(9-13)24(28)29/h6-7,9,19,23,25H,5,8,10-11H2,1-4H3
InChIKey
DHOMXWXHVGAWJS-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))O)C(=O)CC(C2)(C)C
CCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)O)(N+)(=O)(O))C(=O)CC(C2)(C)C)C
InChI=1SC22H26N2O6c1583021(27)1812(2)23141022(34)1117(26)20(14)19(18)136716(25)15(913)24(28)29h679192325H581011H214H3
MFCD00770919
propyl4(4hydroxy3nitrophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
propyl4(4hydroxy3nitrophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
STK064410
ZINC000019799505
ZINC000019799508

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Available files

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