Vitas-M small molecule compound

1-(4-{3-[4-(2-methoxyphenyl)piperazin-1-yl]-4-nitrophenyl}piperazin-1-yl)-2,2-dimethylpropan-1-one

Catalog ID
STK157671
SMILES COc1ccccc1N1CCN(CC1)c1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)C(C)(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 C26H35N5O4 MW 481.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35N5O4/c1-26(2,3)25(32)30-17-11-27(12-18-30)20-9-10-21(31(33)34)23(19-20)29-15-13-28(14-16-29)22-7-5-6-8-24(22)35-4/h5-10,19H,11-18H2,1-4H3
InChIKey
WBGJTHQBOWQSRY-UHFFFAOYSA-N
Synonyms
642430-22-6
1(4(3(4(2METHOXYPHENYL)PIPERAZIN1YL)4NITROPHENYL)PIPERAZIN1YL)22DIMETHYLPROPAN1ONE
1(4(3(4(2METHOXYPHENYL)PIPERAZINYL)4NITROPHENYL)PIPERAZINYL)22DIMETHYLPROPAN1ONE
642430226
CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)(N+)(=O)(O))N3CCN(CC3)C4=CC=CC=C4OC
COc1ccccc1N1CCN(CC1)c1cc(ccc1(N+)(=O)(O))N1CCN(CC1)C(=O)C(C)(C)C
InChI=1SC26H35N5O4c126(23)25(32)30171127(121830)2091021(31(33)34)23(1920)29151328(141629)22756824(22)354h51019H1118H214H3
MFCD03687122
ZINC000008818375
ZINC08818375
ZINC8818375

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Available files

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