Vitas-M small molecule compound

N-[4-({4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl}sulfonyl)phenyl]acetamide

Catalog ID
STK148805
SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)[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 C25H27N5O5S MW 509.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O5S/c1-19(31)27-21-7-10-23(11-8-21)36(34,35)29-15-13-28(14-16-29)22-9-12-25(30(32)33)24(17-22)26-18-20-5-3-2-4-6-20/h2-12,17,26H,13-16,18H2,1H3,(H,27,31)
InChIKey
LDXVJLDFQAZKPK-UHFFFAOYSA-N
Synonyms

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))NCC4=CC=CC=C4
CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)(N+)(=O)(O)
InChI=1SC25H27N5O5Sc119(31)272171023(11821)36(3435)29151328(141629)2291225(30(32)33)24(1722)2618205324620h2121726H131618H21H3(H2731)
MFCD02629880
N(4((4(3(BENZYLAMINO)4NITROPHENYL)PIPERAZIN1YL)SULFONYL)PHENYL)ACETAMIDE
N(4(4(3(BENZYLAMINO)4NITROPHENYL)PIPERAZIN1YL)SULFONYLPHENYL)ACETAMIDE
ZINC000008385874
ZINC08385874
ZINC8385874

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Available files

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