Vitas-M small molecule compound

1-(3,5-dichloro-1H-1,2,4-triazol-1-yl)propan-2-one

Catalog ID
STK112479
SMILES CC(=O)Cn1nc(nc1Cl)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 C5H5Cl2N3O MW 194.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C5H5Cl2N3O/c1-3(11)2-10-5(7)8-4(6)9-10/h2H2,1H3
InChIKey
GHHPTRPUNZLOGZ-UHFFFAOYSA-N
Synonyms
625401-77-6
1(35DICHLORO124TRIAZOL1YL)PROPAN2ONE
1(35DICHLORO124TRIAZOLYL)ACETONE
1(35DICHLORO1H124TRIAZOL1YL)ACETONE
1(35DICHLORO1H124TRIAZOL1YL)PROPAN2ONE
2PROPANONE1(35DICHLORO1H124TRIAZOL1YL)
625401776
CC(=O)CN1C(=NC(=N1)Cl)Cl
InChI=1SC5H5Cl2N3Oc13(11)2105(7)84(6)910h2H21H3
MFCD03061431
ZINC000004689730
ZINC04689730
ZINC4689730

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Available files

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