Vitas-M small molecule compound

(2E)-3-(3,4-dichlorophenyl)-1-(1H-pyrazol-1-yl)prop-2-en-1-one

Catalog ID
STK438016
SMILES Clc1ccc(cc1Cl)/C=C/C(=O)n1cccn1

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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 C12H8Cl2N2O MW 267.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H8Cl2N2O/c13-10-4-2-9(8-11(10)14)3-5-12(17)16-7-1-6-15-16/h1-8H/b5-3+
InChIKey
IDVIIQRBBRGTRR-HWKANZROSA-N
Synonyms

(2E)3(34dichlorophenyl)1(1Hpyrazol1yl)prop2en1one
(2E)3(34DICHLOROPHENYL)1PYRAZOLYLPROP2EN1ONE
(E)3(34DICHLOROPHENYL)1PYRAZOL1YLPROP2EN1ONE
1(3(34DICHLOROPHENYL)ACRYLOYL)1HPYRAZOLE
C1=CN(N=C1)C(=O)C=CC2=CC(=C(C=C2)Cl)Cl
Clc1ccc(cc1Cl)C=CC(=O)n1cccn1
InChI=1SC12H8Cl2N2Oc1310429(811(10)14)3512(17)167161516h18Hb53+
MFCD03379358
ZINC000004652404
ZINC04652404
ZINC4652404

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Available files

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