Vitas-M small molecule compound

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

Catalog ID
STK861739
SMILES Clc1ccc(c(c1)Cl)/C=C/C(=O)N1CCCC1

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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 C13H13Cl2NO MW 270.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13Cl2NO/c14-11-5-3-10(12(15)9-11)4-6-13(17)16-7-1-2-8-16/h3-6,9H,1-2,7-8H2/b6-4+
InChIKey
PYJQLYGERKVYQA-GQCTYLIASA-N
Synonyms

(2E)3(24dichlorophenyl)1(pyrrolidin1yl)prop2en1one
(2E)3(24DICHLOROPHENYL)1PYRROLIDINYLPROP2EN1ONE
(E)3(24DICHLOROPHENYL)1PYRROLIDIN1YLPROP2EN1ONE
C1CCN(C1)C(=O)C=CC2=C(C=C(C=C2)Cl)Cl
Clc1ccc(c(c1)Cl)C=CC(=O)N1CCCC1
InChI=1SC13H13Cl2NOc14115310(12(15)911)4613(17)16712816h369H1278H2b64+
MFCD01458819
ZINC000005670605
ZINC05670605
ZINC5670605

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Available files

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