Vitas-M small molecule compound

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

Catalog ID
STK019530
SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)NCCOc1ccc(cc1)Cl)[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/c1-19-2-9-23(10-3-19)36(33,34)29-15-13-28(14-16-29)21-6-11-25(30(31)32)24(18-21)27-12-17-35-22-7-4-20(26)5-8-22/h2-11,18,27H,12-17H2,1H3
InChIKey
VFNGJXCALPIRCO-UHFFFAOYSA-N
Synonyms

1(3((2(4CHLOROPHENOXY)ETHYL)AMINO)4NITROPHENYL)4((4METHYLPHENYL)SULFONYL)PIPERAZINE
CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))NCCOC4=CC=C(C=C4)Cl
Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)NCCOc1ccc(cc1)Cl)(N+)(=O)(O)
InChI=1SC25H27ClN4O5Sc1192923(10319)36(3334)29151328(141629)2161125(30(31)32)24(1821)27121735227420(26)5822h2111827H1217H21H3
MFCD02625963
N(2(4chlorophenoxy)ethyl)2nitro5(4tosylpiperazin1yl)aniline
N(2(4CHLOROPHENOXY)ETHYL)5(4((4METHYLPHENYL)SULFONYL)PIPERAZIN1YL)2NITROANILINE
N(2(4CHLOROPHENOXY)ETHYL)5(4(4METHYLPHENYL)SULFONYLPIPERAZIN1YL)2NITROANILINE
STK019530
ZINC000008385437
ZINC08385437
ZINC8385437

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Available files

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