Vitas-M small molecule compound

4-(5-{4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl}-2-nitrophenyl)morpholine

Catalog ID
STK154737
SMILES Clc1ccccc1OCCN1CCN(CC1)c1ccc(c(c1)N1CCOCC1)[N+](=O)[O-]

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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 C22H27ClN4O4 MW 446.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27ClN4O4/c23-19-3-1-2-4-22(19)31-16-11-24-7-9-25(10-8-24)18-5-6-20(27(28)29)21(17-18)26-12-14-30-15-13-26/h1-6,17H,7-16H2
InChIKey
PVYLVFNPEKLIQR-UHFFFAOYSA-N
Synonyms
593237-55-9
4(5(4(2(2CHLOROPHENOXY)ETHYL)PIPERAZIN1YL)2NITROPHENYL)MORPHOLINE
593237559
C1CN(CCN1CCOC2=CC=CC=C2Cl)C3=CC(=C(C=C3)(N+)(=O)(O))N4CCOCC4
Clc1ccccc1OCCN1CCN(CC1)c1ccc(c(c1)N1CCOCC1)(N+)(=O)(O)
InChI=1SC22H27ClN4O4c2319312422(19)311611247925(10824)185620(27(28)29)21(1718)26121430151326h1617H716H2
MFCD03689021
ZINC000055526908
ZINC55526908

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.