VU-1545

CAT: 1410-M27735-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:1410-M27735-02Size:2 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

VU 1545 is mGlu5 positive allosteric modulator.

CAS Number

890764-63-3

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

402.385

Molecular Formula

C22H15FN4O3

Notes

Research use only, not for human use.

Receptor

Microbial Metabolite|TGR5|FXR

Chemical Information

VU-1545

CAS Number	890764-63-3
PubChem CID	11625520
IUPAC Name	N-[1-(2-fluorophenyl)-3-phenylpyrazol-5-yl]-4-nitrobenzamide
Molecular Formula	C22H15FN4O3
Molecular Weight	402.4
XLogP	4.7
Topological Polar Surface Area	92.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	30
Formal Charge	0
Complexity	602

SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4F

InChI

InChI=1S/C22H15FN4O3/c23-18-8-4-5-9-20(18)26-21(14-19(25-26)15-6-2-1-3-7-15)24-22(28)16-10-12-17(13-11-16)27(29)30/h1-14H,(H,24,28)

InChIKey

BRAZLURTFMCAHU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 890764-63-3

CID: 11625520

Formula: C22H15FN4O3

MW: 402.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	402.4
XLogP3	4.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	402.11281852
Monoisotopic Mass	402.11281852
Topological Polar Surface Area	92.7 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	602
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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M26505-01	VU 0365114
M17159-01	VU 0361737
M11731	VU-WS113
M10756-01	VU 0364849
M17215-01	VU 0364439
M16441-01	VU 0240551

Alternative Products

Catalog	Name
T23514-01	VU-1545
468779-01	VU 1545
RG-E242702-01	AUR-1545
JRA35128-01	VU 152100
IYB22239	VU 0365114
BNA00101-01	VU 0029767
SID92321-01	VU 6008667
MKD04743-01	VU 6005649
LWB20504	VU 0361737
TTB75742-01	VU 0155041

VU-1545

Chemical Information

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