Vitas-M small molecule compound

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

Catalog ID
STL395537
SMILES CC1=NN(C(C1)(O)C(F)(F)F)C(=O)c1ccn(n1)COc1ccc(c(c1)Cl)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 C16H13ClF4N4O3 MW 420.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClF4N4O3/c1-9-7-15(27,16(19,20)21)25(22-9)14(26)13-4-5-24(23-13)8-28-10-2-3-12(18)11(17)6-10/h2-6,27H,7-8H2,1H3
InChIKey
QCRYEAQLNIRWOI-UHFFFAOYSA-N
Synonyms
1005630-78-3
(1((3CHLORO4FLUOROPHENOXY)METHYL)1HPYRAZOL3YL)(5HYDROXY3METHYL5(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOL1YL)METHANONE
(1((3chloro4fluorophenoxy)methyl)pyrazol3yl)(5hydroxy3methyl5(trifluoromethyl)4Hpyrazol1yl)methanone
1005630783
CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=NN(C=C2)COC3=CC(=C(C=C3)F)Cl
InChI=1SC16H13ClF4N4O3c19715(2716(1920)21)25(229)14(26)134524(2313)828102312(18)11(17)610h2627H78H21H3
MFCD04133982
ZINC000017092430
ZINC000017092431

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Available files

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