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Metyltetraprole

CAT: 0013-GTR19186652-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186652-02Size:50 mg
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Description
Metyltetraprole is a potent fungicide effective against both sensitive and QoI-resistant Zymoseptoria tritici strains, including those with the G143A mutation, by inhibiting complex III of the respiratory chain. Its low EC50 values support its utility in agricultural fungicide resistance research, applicable in both in vitro and plant pathology studies.
CAS Number
1472649-01-6
Field of Research
Infectious Disease & Virology, Metabolism Research
Smiles
C (OC1=NN (C=C1) C2=CC=C (Cl) C=C2) C3=C (C=CC=C3C) N4C (=O) N (C) N=N4
Molecular Formula
C19H17ClN6O2
Molecular Weight
396.83
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Metyltetraprole

Metyltetraprole is a member of the class of tetrazoles that is 1-methyl-4-phenyltetrazole in which the phenyl group has been substituted at positions 2 and 3 by [1-(p-chlorophenyl)-1H-pyrazol-3-yl]oxy}methyl and methyl groups, respectively. A quinone outside inhibitor, it is a fungicide that can be used to control a broad range of diseases, including Septoria leaf blotch in wheat. It has a role as a quinone outside inhibitor and an antifungal agrochemical. It is a member of tetrazoles, a pyrazole pesticide and a member of monochlorobenzenes.

CAS Number1472649-01-6
PubChem CID89881183
IUPAC Name1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one
Molecular FormulaC19H17ClN6O2
Molecular Weight396.8
XLogP4.6
Topological Polar Surface Area75.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity585
SMILES
CC1=C(C(=CC=C1)N2C(=O)N(N=N2)C)COC3=NN(C=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H17ClN6O2/c1-13-4-3-5-17(26-19(27)24(2)22-23-26)16(13)12-28-18-10-11-25(21-18)15-8-6-14(20)7-9-15/h3-11H,12H2,1-2H3
InChIKey
XUQQRGKFXLAPNV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Metyltetraprole
CAS: 1472649-01-6
CID: 89881183
Formula: C19H17ClN6O2
MW: 396.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.8
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass396.1101515
Monoisotopic Mass396.1101515
Topological Polar Surface Area75.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity585
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T61869-01Metyltetraprole

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