Vitas-M small molecule compound

{1-[(2-chloro-5-methylphenoxy)methyl]-1H-pyrazol-3-yl}[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone

Catalog ID
STL403976
SMILES Cc1ccc(c(c1)OCn1ccc(n1)C(=O)N1N=C(CC1(O)C(F)(F)F)C)Cl

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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 C17H16ClF3N4O3 MW 416.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16ClF3N4O3/c1-10-3-4-12(18)14(7-10)28-9-24-6-5-13(23-24)15(26)25-16(27,17(19,20)21)8-11(2)22-25/h3-7,27H,8-9H2,1-2H3
InChIKey
WLGDUONUHVZPFN-UHFFFAOYSA-N
Synonyms
1005696-72-9
(1((2chloro5methylphenoxy)methyl)1Hpyrazol3yl)(5hydroxy3methyl5(trifluoromethyl)45dihydro1Hpyrazol1yl)methanone
(1((2chloro5methylphenoxy)methyl)pyrazol3yl)(5hydroxy3methyl5(trifluoromethyl)4Hpyrazol1yl)methanone
1005696729
CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=NN(C=C2)COC3=C(C=CC(=C3)C)Cl
InChI=1SC17H16ClF3N4O3c1103412(18)14(710)289246513(2324)15(26)2516(2717(1920)21)811(2)2225h3727H89H212H3
MFCD04053309
ZINC000017090869
ZINC000017090870

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Available files

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