Vitas-M small molecule compound

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

Catalog ID
STK150334
SMILES CCC(=O)N1CCN(CC1)c1ccc(cc1Cl)[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 C13H16ClN3O3 MW 297.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16ClN3O3/c1-2-13(18)16-7-5-15(6-8-16)12-4-3-10(17(19)20)9-11(12)14/h3-4,9H,2,5-8H2,1H3
InChIKey
QDAXFAWUFNGLJB-UHFFFAOYSA-N
Synonyms
424797-83-1
1(4(2CHLORO4NITROPHENYL)PIPERAZIN1YL)PROPAN1ONE
424797831
CCC(=O)N1CCN(CC1)c1ccc(cc1Cl)(N+)(=O)(O)
CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)(N+)(=O)(O))Cl
InChI=1SC13H16ClN3O3c1213(18)167515(6816)124310(17(19)20)911(12)14h349H258H21H3
MFCD02634404
ZINC000004687557
ZINC04687557
ZINC4687557

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Available files

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