Vitas-M small molecule compound

4'-chloro-1,1'',3,3''-tetramethyl-1H,1'H,1''H-4,3':5',4''-terpyrazole

Catalog ID
STK399940
SMILES Cn1cc(c(n1)C)c1n[nH]c(c1Cl)c1cn(nc1C)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 C13H15ClN6 MW 290.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15ClN6/c1-7-9(5-19(3)17-7)12-11(14)13(16-15-12)10-6-20(4)18-8(10)2/h5-6H,1-4H3,(H,15,16)
InChIKey
YIBLWOWAFYBMSJ-UHFFFAOYSA-N
Synonyms
1234174-68-5
1234174685
4chloro1133tetramethyl1H1H1H4354terpyrazole
4chloro35bis(13dimethylpyrazol4yl)1Hpyrazole
CC1=NN(C=C1C2=C(C(=NN2)C3=CN(N=C3C)C)Cl)C
Cn1cc(c(n1)C)c1n(nH)c(c1Cl)c1cn(nc1C)C
InChI=1SC13H15ClN6c179(519(3)177)1211(14)13(161512)10620(4)188(10)2h56H14H3(H1516)
MFCD08553135
ZINC000022637590
ZINC22637590

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Available files

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