Vitas-M small molecule compound
5-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}-N-(2,2-dimethylpropyl)-2-nitroaniline
Catalog ID
STK205976
SMILES Clc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)NCC(C)(C)C)[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 C21H27ClN4O4S MW 466.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27ClN4O4S/c1-21(2,3)15-23-19-14-17(6-9-20(19)26(27)28)24-10-12-25(13-11-24)31(29,30)18-7-4-16(22)5-8-18/h4-9,14,23H,10-13,15H2,1-3H3InChIKey
AJWJJHGQCFBMHU-UHFFFAOYSA-NSynonyms
5(4((4CHLOROPHENYL)SULFONYL)PIPERAZIN1YL)N(22DIMETHYLPROPYL)2NITROANILINE
5(4(4CHLOROPHENYL)SULFONYLPIPERAZIN1YL)N(22DIMETHYLPROPYL)2NITROANILINE
CC(C)(C)CNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)(N+)(=O)(O)
Clc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)NCC(C)(C)C)(N+)(=O)(O)
InChI=1SC21H27ClN4O4Sc121(23)1523191417(6920(19)26(27)28)24101225(131124)31(2930)187416(22)5818h491423H101315H213H3
MFCD06167722
ZINC000009971774
ZINC09971774
ZINC9971774
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