Vitas-M small molecule compound

2,2-dimethyl-1-(4-{4-nitro-3-[(1-phenylethyl)amino]phenyl}piperazin-1-yl)propan-1-one

Catalog ID
STK148986
SMILES O=C(C(C)(C)C)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 C23H30N4O3 MW 410.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N4O3/c1-17(18-8-6-5-7-9-18)24-20-16-19(10-11-21(20)27(29)30)25-12-14-26(15-13-25)22(28)23(2,3)4/h5-11,16-17,24H,12-15H2,1-4H3
InChIKey
AOEUOUVVHBEYDQ-UHFFFAOYSA-N
Synonyms

22DIMETHYL1(4(4NITRO3((1PHENYLETHYL)AMINO)PHENYL)PIPERAZIN1YL)PROPAN1ONE
22DIMETHYL1(4(4NITRO3(1PHENYLETHYLAMINO)PHENYL)PIPERAZIN1YL)PROPAN1ONE
5(4(22DIMETHYLPROPANOYL)1PIPERAZINYL)2NITRON(1PHENYLETHYL)ANILINE
CC(C1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCN(CC3)C(=O)C(C)(C)C)(N+)(=O)(O)
InChI=1SC23H30N4O3c117(188657918)24201619(101121(20)27(29)30)25121426(151325)22(28)23(23)4h511161724H1215H214H3
MFCD03306420
O=C(C(C)(C)C)N1CCN(CC1)c1ccc(c(c1)NC(c1ccccc1)C)(N+)(=O)(O)
ZINC000004687433
ZINC000004687439

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Available files

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