Vitas-M small molecule compound

(2E)-1-(3,4-dichlorophenyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)prop-2-en-1-one

Catalog ID
STK310536
SMILES O=C(c1ccc(c(c1)Cl)Cl)/C=C/c1c(C)nn(c1C)C

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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 C15H14Cl2N2O MW 309.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14Cl2N2O/c1-9-12(10(2)19(3)18-9)5-7-15(20)11-4-6-13(16)14(17)8-11/h4-8H,1-3H3/b7-5+
InChIKey
BTKGIMTYKRXBTA-FNORWQNLSA-N
Synonyms
1005661-73-3
(2E)1(34dichlorophenyl)3(135trimethyl1Hpyrazol4yl)prop2en1one
(E)1(34dichlorophenyl)3(135trimethylpyrazol4yl)prop2en1one
1005661733
CC1=C(C(=NN1C)C)C=CC(=O)C2=CC(=C(C=C2)Cl)Cl
InChI=1SC15H14Cl2N2Oc1912(10(2)19(3)189)5715(20)114613(16)14(17)811h48H13H3b75+
MFCD04135929
O=C(c1ccc(c(c1)Cl)Cl)C=Cc1c(C)nn(c1C)C
ZINC000006920986
ZINC06920986
ZINC6920986

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Available files

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