Vitas-M small molecule compound

1-[1-(3-chlorobenzyl)-1H-pyrazol-4-yl]-3-{1-[(2,2,2-trifluoroethoxy)methyl]-1H-pyrazol-4-yl}thiourea

Catalog ID
STK311600
SMILES S=C(Nc1cnn(c1)Cc1cccc(c1)Cl)Nc1cnn(c1)COCC(F)(F)F

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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 C17H16ClF3N6OS MW 444.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16ClF3N6OS/c18-13-3-1-2-12(4-13)7-26-8-14(5-22-26)24-16(29)25-15-6-23-27(9-15)11-28-10-17(19,20)21/h1-6,8-9H,7,10-11H2,(H2,24,25,29)
InChIKey
UHNGBGGLNCMNNW-UHFFFAOYSA-N
Synonyms
1005607-64-6
((1((3CHLOROPHENYL)METHYL)PYRAZOL4YL)AMINO)((1((222TRIFLUOROETHOXY)METHYL)PYRAZOL4YL)AMINO)METHANE1THIONE
1(1((3chlorophenyl)methyl)pyrazol4yl)3(1(222trifluoroethoxymethyl)pyrazol4yl)thiourea
1(1(3chlorobenzyl)1Hpyrazol4yl)3(1((222trifluoroethoxy)methyl)1Hpyrazol4yl)thiourea
1005607646
C1=CC(=CC(=C1)Cl)CN2C=C(C=N2)NC(=S)NC3=CN(N=C3)COCC(F)(F)F
InChI=1SC17H16ClF3N6OSc181331212(413)726814(52226)2416(29)251562327(915)11281017(1920)21h1689H71011H2(H2242529)
MFCD04138752
ZINC000008782441
ZINC08782441
ZINC8782441

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Available files

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