Vitas-M small molecule compound

2-{(2Z)-3-[(2,5-dichlorophenyl)amino]prop-2-enoyl}cyclohexane-1,3-dione

Catalog ID
STL322639
SMILES O=C1CCCC(=O)C1C(=O)/C=C\Nc1cc(Cl)ccc1Cl

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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 C15H13Cl2NO3 MW 326.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13Cl2NO3/c16-9-4-5-10(17)11(8-9)18-7-6-14(21)15-12(19)2-1-3-13(15)20/h4-8,15,18H,1-3H2/b7-6-
InChIKey
QMGKACLJJAUGMY-SREVYHEPSA-N
Synonyms
327097-93-8
(Z)2(3((25dichlorophenyl)amino)acryloyl)cyclohexane13dione
2((2Z)3((25dichlorophenyl)amino)prop2enoyl)cyclohexane13dione
2((Z)3(25dichloroanilino)prop2enoyl)cyclohexane13dione
327097938
C1CC(=O)C(C(=O)C1)C(=O)C=CNC2=C(C=CC(=C2)Cl)Cl
InChI=1SC15H13Cl2NO3c1694510(17)11(89)187614(21)1512(19)21313(15)20h481518H13H2b76
MFCD01554574
O=C1CCCC(=O)C1C(=O)C=CNc1cc(Cl)ccc1Cl
ZINC000100395058
ZINC100395058

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Available files

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