Vitas-M small molecule compound
5-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}-N-(2-methylpropyl)-2-nitroaniline
Catalog ID
STK205886
SMILES CC(CNc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)C
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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 C21H28N4O4S MW 432.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O4S/c1-16(2)15-22-20-14-18(6-9-21(20)25(26)27)23-10-12-24(13-11-23)30(28,29)19-7-4-17(3)5-8-19/h4-9,14,16,22H,10-13,15H2,1-3H3InChIKey
PJVYNMNFJSRLQD-UHFFFAOYSA-NSynonyms
5(4((4METHYLPHENYL)SULFONYL)PIPERAZIN1YL)N(2METHYLPROPYL)2NITROANILINE
5(4(4METHYLPHENYL)SULFONYLPIPERAZIN1YL)N(2METHYLPROPYL)2NITROANILINE
CC(CNc1cc(ccc1(N+)(=O)(O))N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)C
CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))NCC(C)C
InChI=1SC21H28N4O4Sc116(2)1522201418(6921(20)25(26)27)23101224(131123)30(2829)197417(3)5819h49141622H101315H213H3
MFCD05838556
ZINC000009971681
ZINC09971681
ZINC9971681
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