VS-15

CAT: 0931-T200480-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T200480-03Size:100 mg

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

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CAS Number

951948-78-0

Target

IDO, Indoleamine 2,3-Dioxygenase (IDO), NO Synthase

Related Pathways

Immunology/Inflammation, Metabolism

Bioactivity

VS-15 is a selective inhibitor of IDO1, specifically binding to its apo-heme form. Additionally, VS-15 serves as an inhibitor of iNOS.

Smiles

O=C(NC=1C=CC=CC1C(=O)NCCC2=CNC=3C=CC=CC32)C(=O)NCCC4=CNC=5C=CC=CC54

Molecular Formula

C29H27N5O3

Molecular Weight

493.56

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

N-[2-(1H-Indol-3-YL)ethyl]-N'-(2-{[2-(1H-indol-3-YL)ethyl]carbamoyl}phenyl)ethanediamide

CAS Number	951948-78-0
PubChem CID	17571834
IUPAC Name	N-[2-(1H-indol-3-yl)ethyl]-N'-[2-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]oxamide
Molecular Formula	C29H27N5O3
Molecular Weight	493.6
XLogP	4.8
Topological Polar Surface Area	119
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Heavy Atom Count	37
Formal Charge	0
Complexity	806

SMILES

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C3=CC=CC=C3NC(=O)C(=O)NCCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C29H27N5O3/c35-27(30-15-13-19-17-32-24-10-4-1-7-21(19)24)23-9-3-6-12-26(23)34-29(37)28(36)31-16-14-20-18-33-25-11-5-2-8-22(20)25/h1-12,17-18,32-33H,13-16H2,(H,30,35)(H,31,36)(H,34,37)

InChIKey

ZOFGOTNKENWHRR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 951948-78-0

CID: 17571834

Formula: C29H27N5O3

MW: 493.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	493.6
XLogP3	4.8
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	493.21138974
Monoisotopic Mass	493.21138974
Topological Polar Surface Area	119 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	806
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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VS-15

Chemical Information

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