Vitas-M small molecule compound

N-(4-chlorobenzyl)-5-[4-(naphthalen-2-ylsulfonyl)piperazin-1-yl]-2-nitroaniline

Catalog ID
STK066972
SMILES Clc1ccc(cc1)CNc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cccc2

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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 C27H25ClN4O4S MW 537.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN4O4S/c28-23-8-5-20(6-9-23)19-29-26-18-24(10-12-27(26)32(33)34)30-13-15-31(16-14-30)37(35,36)25-11-7-21-3-1-2-4-22(21)17-25/h1-12,17-18,29H,13-16,19H2
InChIKey
INSVBOJWGHQHMC-UHFFFAOYSA-N
Synonyms

1(3((4CHLOROBENZYL)AMINO)4NITROPHENYL)4(2NAPHTHYLSULFONYL)PIPERAZINE
4(3(((4CHLOROPHENYL)METHYL)AMINO)4NITROPHENYL)1(2NAPHTHYLSULFONYL)PIPERAZINE
C1CN(CCN1C2=CC(=C(C=C2)(N+)(=O)(O))NCC3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC5=CC=CC=C5C=C4
Clc1ccc(cc1)CNc1cc(ccc1(N+)(=O)(O))N1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cccc2
InChI=1SC27H25ClN4O4Sc28238520(6923)1929261824(101227(26)32(33)34)30131531(161430)37(3536)2511721312422(21)1725h112171829H131619H2
MFCD02625971
N((4CHLOROPHENYL)METHYL)5(4NAPHTHALEN2YLSULFONYLPIPERAZIN1YL)2NITROANILINE
N(4CHLOROBENZYL)5(4(NAPHTHALEN2YLSULFONYL)PIPERAZIN1YL)2NITROANILINE
STK066972
ZINC000008385451
ZINC08385451
ZINC8385451

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Available files

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