Vitas-M small molecule compound

(3-bromophenyl)[4-(4-nitrophenyl)piperazin-1-yl]methanone

Catalog ID
STK416501
SMILES Brc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(cc1)[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 C17H16BrN3O3 MW 390.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16BrN3O3/c18-14-3-1-2-13(12-14)17(22)20-10-8-19(9-11-20)15-4-6-16(7-5-15)21(23)24/h1-7,12H,8-11H2
InChIKey
GKYXTJTXHQKWMQ-UHFFFAOYSA-N
Synonyms

(3bromophenyl)(4(4nitrophenyl)piperazin1yl)methanone
3BROMOPHENYL4(4NITROPHENYL)PIPERAZINYLKETONE
Brc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O)
C1CN(CCN1C2=CC=C(C=C2)(N+)(=O)(O))C(=O)C3=CC(=CC=C3)Br
InChI=1SC17H16BrN3O3c181431213(1214)17(22)2010819(91120)154616(7515)21(23)24h1712H811H2
MFCD00586031
ZINC000003879665
ZINC03879665
ZINC3879665

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Available files

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