Vitas-M small molecule compound

1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(3-methyl-4-nitrophenoxy)butan-1-one

Catalog ID
STK471601
SMILES CCC(C(=O)n1nc(cc1C)C)Oc1ccc(c(c1)C)[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 C16H19N3O4 MW 317.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N3O4/c1-5-15(16(20)18-12(4)9-11(3)17-18)23-13-6-7-14(19(21)22)10(2)8-13/h6-9,15H,5H2,1-4H3
InChIKey
TZPVEFKKEXTLOQ-UHFFFAOYSA-N
Synonyms

1(35dimethyl1Hpyrazol1yl)2(3methyl4nitrophenoxy)butan1one
1(35DIMETHYLPYRAZOL1YL)2(3METHYL4NITROPHENOXY)BUTAN1ONE
1(35DIMETHYLPYRAZOLYL)2(3METHYL4NITROPHENOXY)BUTAN1ONE
CCC(C(=O)N1C(=CC(=N1)C)C)OC2=CC(=C(C=C2)(N+)(=O)(O))C
CCC(C(=O)n1nc(cc1C)C)Oc1ccc(c(c1)C)(N+)(=O)(O)
InChI=1SC16H19N3O4c1515(16(20)1812(4)911(3)1718)23136714(19(21)22)10(2)813h6915H5H214H3
MFCD07358263
ZINC000004750405
ZINC000004750406

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Available files

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