Vitas-M small molecule compound
3,4,4-trichloro-1-(3,5-dimethyl-1H-pyrazol-1-yl)but-3-en-1-one
Catalog ID
STK774303
SMILES O=C(n1nc(cc1C)C)CC(=C(Cl)Cl)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 C9H9Cl3N2O MW 267.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H9Cl3N2O/c1-5-3-6(2)14(13-5)8(15)4-7(10)9(11)12/h3H,4H2,1-2H3InChIKey
MNUMEEXPXCXIDJ-UHFFFAOYSA-NSynonyms
1(35DIMETHYLPYRAZOLYL)344TRICHLOROBUT3EN1ONE
344trichloro1(35dimethyl1Hpyrazol1yl)but3en1one
344TRICHLORO1(35DIMETHYLPYRAZOL1YL)BUT3EN1ONE
35DIMETHYL1(344TRICHLOROBUT3ENOYL)1HPYRAZOLE
CC1=CC(=NN1C(=O)CC(=C(Cl)Cl)Cl)C
InChI=1SC9H9Cl3N2Oc1536(2)14(135)8(15)47(10)9(11)12h3H4H212H3
MFCD04060544
ZINC000004653700
ZINC04653700
ZINC4653700
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