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TYT-1

CAT: 0013-GTR19198879-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198879-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TYT-1 is a small molecule inhibitor of West Nile virus (WNV) with an IC50 of 0.7 mM, which acts by disrupting the pre-assembly replication step post-viral entry. This compound is a valuable research tool for studying flavivirus replication mechanisms in vitro and has been utilized in antiviral screening assays.
CAS Number
64803-10-7
Product Name Alternative
TYT 1, TYT-1, NSC298213, NSC-298213
Field of Research
Immunology & Inflammation, Infectious Disease & Virology
Purity
98.49% (May vary between batches)
Smiles
N (C (N (C1=CC=CC=C1) C2=CC=CC=C2) =S) =C3N (S (=O) (=O) CS3) C4=CC=CC=C4
Molecular Formula
C21H17N3O2S3
Molecular Weight
439.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(3Z)-3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-diphenylthiourea
CAS Number64803-10-7
PubChem CID9555338
IUPAC Name(3Z)-3-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-diphenylthiourea
Molecular FormulaC21H17N3O2S3
Molecular Weight439.6
XLogP5.5
Topological Polar Surface Area119
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity683
SMILES
C1S/C(=N\C(=S)N(C2=CC=CC=C2)C3=CC=CC=C3)/N(S1(=O)=O)C4=CC=CC=C4
InChI
InChI=1S/C21H17N3O2S3/c25-29(26)16-28-21(24(29)19-14-8-3-9-15-19)22-20(27)23(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15H,16H2/b22-21-
InChIKey
WHFLLSDSNHZKAX-DQRAZIAOSA-N
Chemical Structure
2D Structure
2D structure of (3Z)-3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-diphenylthiourea
CAS: 64803-10-7
CID: 9555338
Formula: C21H17N3O2S3
MW: 439.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.6
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass439.04829031
Monoisotopic Mass439.04829031
Topological Polar Surface Area119 Ų
Heavy Atom Count29
Formal Charge0
Complexity683
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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