WYC-209

CAT: 0926-GKD80390-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-GKD80390-01Size:10 mg

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

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CAS Number

2131803-90-0

Smiles

CCOC (=O) C1=CN=C (N=C1) C#CC2=CC3=C (C=C2) S (=O) CCC3 (C) C

Molecular Formula

C20H20N2O3S

Molecular Weight

368.45 g/mol

Controlled

Chemical Information

Ethyl 2-[2-(4,4-dimethyl-1-oxo-2,3-dihydrothiochromen-6-yl)ethynyl]pyrimidine-5-carboxylate

CAS Number	2131803-90-0
PubChem CID	130417665
IUPAC Name	ethyl 2-[2-(4,4-dimethyl-1-oxo-2,3-dihydrothiochromen-6-yl)ethynyl]pyrimidine-5-carboxylate
Molecular Formula	C20H20N2O3S
Molecular Weight	368.5
XLogP	2.8
Topological Polar Surface Area	88.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	613

SMILES

CCOC(=O)C1=CN=C(N=C1)C#CC2=CC3=C(C=C2)S(=O)CCC3(C)C

InChI

InChI=1S/C20H20N2O3S/c1-4-25-19(23)15-12-21-18(22-13-15)8-6-14-5-7-17-16(11-14)20(2,3)9-10-26(17)24/h5,7,11-13H,4,9-10H2,1-3H3

InChIKey

LLMDAYVUHYVJSS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2131803-90-0

CID: 130417665

Formula: C20H20N2O3S

MW: 368.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	368.5
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	368.11946368
Monoisotopic Mass	368.11946368
Topological Polar Surface Area	88.4 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	613
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GKD80393-01	WYC-210
JDC52614-01	(±) -ML 209
BP165815-01	PTC 209
SYB02263-01	PTC-209 HBr
CRB1301249	Tau (195-209) Heavy
CRB1001248-01	Tau (195-209) Light
PG16969-01	G209-2M; gp100 (209-217)
PD16952-01	Dynorphin A (1-17), (Prodynorphin 209-225), Porcine
BA163812-01	AZD 2098
THC37317-01	AM-2099