Vitas-M small molecule compound

N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-methyl-4-nitrobenzamide

Catalog ID
STK213936
SMILES CC(=O)N1CCN(CC1)c1ccccc1NC(=O)c1ccc(c(c1)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 C20H22N4O4 MW 382.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O4/c1-14-13-16(7-8-18(14)24(27)28)20(26)21-17-5-3-4-6-19(17)23-11-9-22(10-12-23)15(2)25/h3-8,13H,9-12H2,1-2H3,(H,21,26)
InChIKey
RRLSZOJVNUGXJA-UHFFFAOYSA-N
Synonyms

CC(=O)N1CCN(CC1)c1ccccc1NC(=O)c1ccc(c(c1)C)(N+)(=O)(O)
CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2N3CCN(CC3)C(=O)C)(N+)(=O)(O)
InChI=1SC20H22N4O4c1141316(7818(14)24(27)28)20(26)2117534619(17)2311922(101223)15(2)25h3813H912H212H3(H2126)
MFCD07613621
N(2(4ACETYLPIPERAZIN1YL)PHENYL)3METHYL4NITROBENZAMIDE
ZINC000004747796
ZINC04747796
ZINC4747796

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Available files

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