Vitas-M small molecule compound

1'-(2-chloro-4-fluorobenzyl)-1,1'',3,3''-tetramethyl-1H,1'H,1''H-4,3':5',4''-terpyrazole

Catalog ID
STK314557
SMILES Fc1ccc(c(c1)Cl)Cn1nc(cc1c1cn(nc1C)C)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 C20H20ClFN6 MW 398.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClFN6/c1-12-16(10-26(3)23-12)19-8-20(17-11-27(4)24-13(17)2)28(25-19)9-14-5-6-15(22)7-18(14)21/h5-8,10-11H,9H2,1-4H3
InChIKey
XIWSJMQLZDLNLU-UHFFFAOYSA-N
Synonyms
1006327-11-2
1((2chloro4fluorophenyl)methyl)35bis(13dimethylpyrazol4yl)pyrazole
1(2chloro4fluorobenzyl)1133tetramethyl1H1H1H4354terpyrazole
1006327112
CC1=NN(C=C1C2=CC(=NN2CC3=C(C=C(C=C3)F)Cl)C4=CN(N=C4C)C)C
InChI=1SC20H20ClFN6c11216(1026(3)2312)19820(171127(4)2413(17)2)28(2519)9145615(22)718(14)21h581011H9H214H3
MFCD08553214
ZINC000013960920
ZINC13960920

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Available files

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