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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H20F4N6O2
Molecular Weight 584.5231
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VT-1598

SMILES

O[C@@](CN1C=NN=N1)(C2=C(F)C=C(F)C=C2)C(F)(F)C3=CC=C(C=N3)C#CC4=CC=C(OCC5=CC=C(C=C5)C#N)C=C4

InChI

InChIKey=UDGASIIGNCBLSI-PMERELPUSA-N
InChI=1S/C31H20F4N6O2/c32-25-10-13-27(28(33)15-25)30(42,19-41-20-38-39-40-41)31(34,35)29-14-9-23(17-37-29)4-1-21-7-11-26(12-8-21)43-18-24-5-2-22(16-36)3-6-24/h2-3,5-15,17,20,42H,18-19H2/t30-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
VT-1598
Code English
4-((4-(2-(6-((2R)-2-(2,4-DIFLUOROPHENYL)-1,1-DIFLUORO-2-HYDROXY-3-(1H-TETRAZOL-1-YL)PROPYL)-3-PYRIDINYL)ETHYNYL)PHENOXY)METHYL)BENZONITRILE
Systematic Name English
BENZONITRILE, 4-((4-(2-(6-((2R)-2-(2,4-DIFLUOROPHENYL)-1,1-DIFLUORO-2-HYDROXY-3-(1H-TETRAZOL-1-YL)PROPYL)-3-PYRIDINYL)ETHYNYL)PHENOXY)METHYL)-
Systematic Name English
VT1598
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 511515
Created by admin on Sat Dec 16 13:32:05 GMT 2023 , Edited by admin on Sat Dec 16 13:32:05 GMT 2023
Code System Code Type Description
FDA UNII
AV9K9X720D
Created by admin on Sat Dec 16 13:32:05 GMT 2023 , Edited by admin on Sat Dec 16 13:32:05 GMT 2023
PRIMARY
CAS
2089320-99-8
Created by admin on Sat Dec 16 13:32:05 GMT 2023 , Edited by admin on Sat Dec 16 13:32:05 GMT 2023
PRIMARY
PUBCHEM
126715974
Created by admin on Sat Dec 16 13:32:05 GMT 2023 , Edited by admin on Sat Dec 16 13:32:05 GMT 2023
PRIMARY