Vitas-M small molecule compound

1-(4-{4-nitro-3-[(1-phenylethyl)amino]phenyl}piperazin-1-yl)butan-1-one

Catalog ID
STK150315
SMILES CCCC(=O)N1CCN(CC1)c1ccc(c(c1)NC(c1ccccc1)C)[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 C22H28N4O3 MW 396.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O3/c1-3-7-22(27)25-14-12-24(13-15-25)19-10-11-21(26(28)29)20(16-19)23-17(2)18-8-5-4-6-9-18/h4-6,8-11,16-17,23H,3,7,12-15H2,1-2H3
InChIKey
HKLDEQIBNVTKDL-UHFFFAOYSA-N
Synonyms

1(4(4NITRO3((1PHENYLETHYL)AMINO)PHENYL)PIPERAZIN1YL)BUTAN1ONE
1(4(4NITRO3(1PHENYLETHYLAMINO)PHENYL)1PIPERAZINYL)1BUTANONE
1(4(4NITRO3(1PHENYLETHYLAMINO)PHENYL)PIPERAZIN1YL)BUTAN1ONE
1(4(4NITRO3(1PHENYLETHYLAMINO)PHENYL)PIPERAZINO)BUTAN1ONE
5(4BUTYRYL1PIPERAZINYL)2NITRON(1PHENYLETHYL)ANILINE
CCCC(=O)N1CCN(CC1)c1ccc(c(c1)NC(c1ccccc1)C)(N+)(=O)(O)
CCCC(=O)N1CCN(CC1)C2=CC(=C(C=C2)(N+)(=O)(O))NC(C)C3=CC=CC=C3
InChI=1SC22H28N4O3c13722(27)25141224(131525)19101121(26(28)29)20(1619)2317(2)188546918h46811161723H371215H212H3
MFCD03306367
ZINC000004687546
ZINC000004687549

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Available files

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