Vitas-M small molecule compound

4-(2-chloro-6-nitrophenyl)-2-methyl-1-(phenylsulfonyl)piperazine

Catalog ID
STK052791
SMILES Clc1cccc(c1N1CCN(C(C1)C)S(=O)(=O)c1ccccc1)[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/c1-13-12-19(17-15(18)8-5-9-16(17)21(22)23)10-11-20(13)26(24,25)14-6-3-2-4-7-14/h2-9,13H,10-12H2,1H3
InChIKey
GYZCCWZXUKPMBU-UHFFFAOYSA-N
Synonyms

1(BENZENESULFONYL)4(2CHLORO6NITROPHENYL)2METHYLPIPERAZINE
4(2CHLORO6NITROPHENYL)2METHYL1(PHENYLSULFONYL)PIPERAZINE
CC1CN(CCN1S(=O)(=O)C2=CC=CC=C2)C3=C(C=CC=C3Cl)(N+)(=O)(O)
Clc1cccc(c1N1CCN(C(C1)C)S(=O)(=O)c1ccccc1)(N+)(=O)(O)
InChI=1SC17H18ClN3O4Sc1131219(1715(18)85916(17)21(22)23)101120(13)26(2425)146324714h2913H1012H21H3
MFCD03146730
STK052791
ZINC000004188660
ZINC000004188666

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Available files

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