Vitas-M small molecule compound

{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone

Catalog ID
STK780466
SMILES COc1c(OC)cc(cc1OC)C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(cc1C)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 C25H29N5O6 MW 495.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5O6/c1-16-12-17(2)29(26-16)21-15-19(6-7-20(21)30(32)33)27-8-10-28(11-9-27)25(31)18-13-22(34-3)24(36-5)23(14-18)35-4/h6-7,12-15H,8-11H2,1-5H3
InChIKey
NHSHUQIHNCGYQT-UHFFFAOYSA-N
Synonyms

(4(3(35dimethyl1Hpyrazol1yl)4nitrophenyl)piperazin1yl)(345trimethoxyphenyl)methanone
(4(3(35DIMETHYLPYRAZOL1YL)4NITROPHENYL)PIPERAZIN1YL)(345TRIMETHOXYPHENYL)METHANONE
CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC(=C(C(=C4)OC)OC)OC)(N+)(=O)(O))C
COc1c(OC)cc(cc1OC)C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(cc1C)C)(N+)(=O)(O)
InChI=1SC25H29N5O6c1161217(2)29(2616)211519(6720(21)30(32)33)2781028(11927)25(31)181322(343)24(365)23(1418)354h671215H811H215H3
MFCD05860448
ZINC000012446079
ZINC12446079

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Available files

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