Vitas-M small molecule compound

1,1-dichloro-4,4-bis(3,5-dimethyl-1H-pyrazol-1-yl)but-3-en-2-one

Catalog ID
STK681225
SMILES ClC(C(=O)/C=C(\n1nc(cc1C)C)/n1nc(cc1C)C)Cl

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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 C14H16Cl2N4O MW 327.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16Cl2N4O/c1-8-5-10(3)19(17-8)13(7-12(21)14(15)16)20-11(4)6-9(2)18-20/h5-7,14H,1-4H3
InChIKey
NLZOIUKAARPRPV-UHFFFAOYSA-N
Synonyms
11dichloro44bis(35dimethyl1Hpyrazol1yl)but3en2one
11DICHLORO44BIS(35DIMETHYLPYRAZOL1YL)BUT3EN2ONE
3BUTEN2ONE11DICHLORO44BIS(35DIMETHYL1HPYRAZOL1YL)
44BIS(35DIMETHYLPYRAZOLYL)11DICHLOROBUT3EN2ONE
45DIMETHYLPYRAZOLE)11DICHLOROBUT3ENE2ONE
CC1=CC(=NN1C(=CC(=O)C(Cl)Cl)N2C(=CC(=N2)C)C)C
ClC(C(=O)C=C(n1nc(cc1C)C)n1nc(cc1C)C)Cl
Registry IDs
MFCD03768685
ZINC000000107109
ZINC00107109
ZINC107109

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Available files

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