Vitas-M small molecule compound

1-(3-chloro-4-methylphenyl)-4-[(3-nitrophenyl)sulfonyl]piperazine

Catalog ID
STK769907
SMILES Clc1cc(ccc1C)N1CCN(CC1)S(=O)(=O)c1cccc(c1)[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 C17H18ClN3O4S MW 395.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18ClN3O4S/c1-13-5-6-14(12-17(13)18)19-7-9-20(10-8-19)26(24,25)16-4-2-3-15(11-16)21(22)23/h2-6,11-12H,7-10H2,1H3
InChIKey
PVCMSCNNVXVBIV-UHFFFAOYSA-N
Synonyms

1(3chloro4methylphenyl)4((3nitrophenyl)sulfonyl)piperazine
1(3CHLORO4METHYLPHENYL)4(3NITROPHENYL)SULFONYLPIPERAZINE
CC1=C(C=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)(N+)(=O)(O))Cl
Clc1cc(ccc1C)N1CCN(CC1)S(=O)(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC17H18ClN3O4Sc1135614(1217(13)18)197920(10819)26(2425)1642315(1116)21(22)23h261112H710H21H3
MFCD03763818
ZINC000004575090
ZINC04575090
ZINC4575090

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Available files

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