Vitas-M small molecule compound
5-{4-[(3,4-dichlorophenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-(pyridin-3-ylmethyl)aniline
Catalog ID
STK147730
SMILES [O-][N+](=O)c1ccc(cc1NCc1cccnc1)N1CCN(CC1)S(=O)(=O)c1ccc(c(c1)Cl)Cl
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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 C22H21Cl2N5O4S MW 522.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21Cl2N5O4S/c23-19-5-4-18(13-20(19)24)34(32,33)28-10-8-27(9-11-28)17-3-6-22(29(30)31)21(12-17)26-15-16-2-1-7-25-14-16/h1-7,12-14,26H,8-11,15H2InChIKey
AAUGRZWJNJUNQX-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc(cc1NCc1cccnc1)N1CCN(CC1)S(=O)(=O)c1ccc(c(c1)Cl)Cl
5(4((34DICHLOROPHENYL)SULFONYL)PIPERAZIN1YL)2NITRON(PYRIDIN3YLMETHYL)ANILINE
5(4(34DICHLOROPHENYL)SULFONYLPIPERAZIN1YL)2NITRON(PYRIDIN3YLMETHYL)ANILINE
C1CN(CCN1C2=CC(=C(C=C2)(N+)(=O)(O))NCC3=CN=CC=C3)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl
InChI=1SC22H21Cl2N5O4Sc23195418(1320(19)24)34(3233)2810827(91128)173622(29(30)31)21(1217)261516217251416h17121426H81115H2
MFCD03254651
ZINC000100295724
ZINC100295724
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