VT-1598

Investigational

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 Search

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

Molecular Formula	C31H20F4N6O2
Molecular Weight	584.5231
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:32:04 UTC 2023` Edited by `admin` on `Sat Dec 16 13:32:04 UTC 2023`
Record UNII	AV9K9X720D
Record Status	`Validated (UNII)`
Record Version

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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 UTC 2023 , Edited by admin on Sat Dec 16 13:32:05 UTC 2023

Code System Code Type Description

FDA UNII

AV9K9X720D

Created by admin on Sat Dec 16 13:32:05 UTC 2023 , Edited by admin on Sat Dec 16 13:32:05 UTC 2023

PRIMARY

CAS

2089320-99-8

Created by admin on Sat Dec 16 13:32:05 UTC 2023 , Edited by admin on Sat Dec 16 13:32:05 UTC 2023

PRIMARY

PUBCHEM

126715974

Created by admin on Sat Dec 16 13:32:05 UTC 2023 , Edited by admin on Sat Dec 16 13:32:05 UTC 2023

PRIMARY

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