Vitas-M small molecule compound

5-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}-N-[2-(2-methylphenoxy)ethyl]-2-nitroaniline

Catalog ID
STK086850
SMILES Clc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)NCCOc1ccccc1C)[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 C25H27ClN4O5S MW 531.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27ClN4O5S/c1-19-4-2-3-5-25(19)35-17-12-27-23-18-21(8-11-24(23)30(31)32)28-13-15-29(16-14-28)36(33,34)22-9-6-20(26)7-10-22/h2-11,18,27H,12-17H2,1H3
InChIKey
XBFOVUITFAODTF-UHFFFAOYSA-N
Synonyms

4CHLORO1((4(3((2(2METHYLPHENOXY)ETHYL)AMINO)4NITROPHENYL)PIPERAZINYL)SULFONYL)BENZENE
5(4((4chlorophenyl)sulfonyl)piperazin1yl)2nitroN(2(otolyloxy)ethyl)aniline
5(4((4CHLOROPHENYL)SULFONYL)PIPERAZIN1YL)N(2(2METHYLPHENOXY)ETHYL)2NITROANILINE
5(4(4CHLOROPHENYL)SULFONYLPIPERAZIN1YL)N(2(2METHYLPHENOXY)ETHYL)2NITROANILINE
CC1=CC=CC=C1OCCNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)(N+)(=O)(O)
Clc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)NCCOc1ccccc1C)(N+)(=O)(O)
InChI=1SC25H27ClN4O5Sc119423525(19)35171227231821(81124(23)30(31)32)28131529(161428)36(3334)229620(26)71022h2111827H1217H21H3
MFCD02625923
STK086850
ZINC000100221432
ZINC100221432

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Available files

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