Vitas-M small molecule compound

2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)aniline

Catalog ID
STK148880
SMILES [O-][N+](=O)c1ccc(cc1NCc1cccnc1)N1CCN(CC1)S(=O)(=O)c1ccccc1

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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 C22H23N5O4S MW 453.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O4S/c28-27(29)22-9-8-19(15-21(22)24-17-18-5-4-10-23-16-18)25-11-13-26(14-12-25)32(30,31)20-6-2-1-3-7-20/h1-10,15-16,24H,11-14,17H2
InChIKey
AAEUJKNZUMOJDJ-UHFFFAOYSA-N
Synonyms

(5(4BESYLPIPERAZINO)2NITROPHENYL)(3PYRIDYLMETHYL)AMINE
(O)(N+)(=O)c1ccc(cc1NCc1cccnc1)N1CCN(CC1)S(=O)(=O)c1ccccc1
2NITRO5(4(PHENYLSULFONYL)1PIPERAZINYL)N(3PYRIDINYLMETHYL)ANILINE
2NITRO5(4(PHENYLSULFONYL)PIPERAZIN1YL)N(PYRIDIN3YLMETHYL)ANILINE
4(4NITRO3((3PYRIDYLMETHYL)AMINO)PHENYL)1(PHENYLSULFONYL)PIPERAZINE
5(4(BENZENESULFONYL)1PIPERAZINYL)2NITRON(3PYRIDINYLMETHYL)ANILINE
5(4(BENZENESULFONYL)PIPERAZIN1YL)2NITRON(PYRIDIN3YLMETHYL)ANILINE
C1CN(CCN1C2=CC(=C(C=C2)(N+)(=O)(O))NCC3=CN=CC=C3)S(=O)(=O)C4=CC=CC=C4
InChI=1SC22H23N5O4Sc2827(29)229819(1521(22)2417185410231618)25111326(141225)32(3031)206213720h110151624H111417H2
MFCD02629965
ZINC000008649123
ZINC08649123
ZINC8649123

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Available files

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