Vitas-M small molecule compound
2-(3,5-dimethylphenoxy)-1-{4-[4-nitro-3-(piperidin-1-yl)phenyl]piperazin-1-yl}ethanone
Catalog ID
STK346242
SMILES Cc1cc(OCC(=O)N2CCN(CC2)c2ccc(c(c2)N2CCCCC2)[N+](=O)[O-])cc(c1)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 C25H32N4O4 MW 452.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N4O4/c1-19-14-20(2)16-22(15-19)33-18-25(30)28-12-10-26(11-13-28)21-6-7-23(29(31)32)24(17-21)27-8-4-3-5-9-27/h6-7,14-17H,3-5,8-13,18H2,1-2H3InChIKey
FRZTTXOYKDCPCM-UHFFFAOYSA-NSynonyms
2(35dimethylphenoxy)1(4(4nitro3(piperidin1yl)phenyl)piperazin1yl)ethanone
2(35DIMETHYLPHENOXY)1(4(4NITRO3PIPERIDIN1YLPHENYL)PIPERAZIN1YL)ETHANONE
CC1=CC(=CC(=C1)OCC(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))N4CCCCC4)C
Cc1cc(OCC(=O)N2CCN(CC2)c2ccc(c(c2)N2CCCCC2)(N+)(=O)(O))cc(c1)C
InChI=1SC25H32N4O4c1191420(2)1622(1519)331825(30)28121026(111328)216723(29(31)32)24(1721)278435927h671417H3581318H212H3
MFCD05829481
ZINC000012858603
ZINC12858603
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