Vitas-M small molecule compound

1-{4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl}-3-methylbutan-1-one

Catalog ID
STK080020
SMILES CC(CC(=O)N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)[N+](=O)[O-])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 C22H28N4O3 MW 396.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O3/c1-17(2)14-22(27)25-12-10-24(11-13-25)19-8-9-21(26(28)29)20(15-19)23-16-18-6-4-3-5-7-18/h3-9,15,17,23H,10-14,16H2,1-2H3
InChIKey
GUKUHGYUWAYQMY-UHFFFAOYSA-N
Synonyms

1(4(3(BENZYLAMINO)4NITROPHENYL)PIPERAZIN1YL)3METHYLBUTAN1ONE
CC(C)CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)(N+)(=O)(O))NCC3=CC=CC=C3
CC(CC(=O)N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)(N+)(=O)(O))C
InChI=1SC22H28N4O3c117(2)1422(27)25121024(111325)198921(26(28)29)20(1519)2316186435718h39151723H101416H212H3
MFCD03030835
NBENZYL5(4(3METHYLBUTANOYL)1PIPERAZINYL)2NITROANILINE
STK080020
ZINC000004187780
ZINC04187780
ZINC4187780

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Available files

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