Vitas-M small molecule compound

1-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]-2-methylpropan-1-one

Catalog ID
STK150325
SMILES CC(C(=O)N1CCN(CC1)c1c(Cl)cccc1[N+](=O)[O-])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 C14H18ClN3O3 MW 311.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18ClN3O3/c1-10(2)14(19)17-8-6-16(7-9-17)13-11(15)4-3-5-12(13)18(20)21/h3-5,10H,6-9H2,1-2H3
InChIKey
QFZDFYNGWHOVTP-UHFFFAOYSA-N
Synonyms

1(2CHLORO6NITROPHENYL)4ISOBUTYRYLPIPERAZINE
1(4(2CHLORO6NITROPHENYL)PIPERAZIN1YL)2METHYLPROPAN1ONE
CC(C(=O)N1CCN(CC1)c1c(Cl)cccc1(N+)(=O)(O))C
CC(C)C(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)(N+)(=O)(O)
InChI=1SC14H18ClN3O3c110(2)14(19)178616(7917)1311(15)43512(13)18(20)21h3510H69H212H3
MFCD03306381
ZINC000004687554
ZINC04687554
ZINC4687554

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Available files

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