CAS No.: 887603-94-3 — Spiro(imidazo(1,2-a)pyridine-3(2H),2'-(2H)inden)-2-one, 1',3'-dihydro- (ST101)

1. Primary Information

English name:	Spiro(imidazo(1,2-a)pyridine-3(2H),2'-(2H)inden)-2-one, 1',3'-dihydro-
CAS No.:	887603-94-3
Molecular formula:	C₁₅H₁₂N₂O
Molecular weight:	236.27 g/mol
SMILES:	C1C2=CC=CC=C2CC13C(=O)N=C4N3C=CC=C4
Structural class:
Other identifiers:	spiro(imidazo-(1,2-a)pyridine-3,2-indan)-2(3H)-one ST 101 ST-101 ST101 cpd ZSET 1446

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1mg	98%	800	2-8℃	in stock	-
Kehua Intelligence	5mg	98%	2000	2-8℃	in stock	-
Kehua Intelligence	10mg	98%	2800	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 30 33 0 0 0 0 0 0 0999 V2000 0.2426 2.5935 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5721 -0.3664 -0.0004 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9681 1.8665 -0.0009 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2284 0.1807 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5817 -0.1994 -1.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5813 -0.1981 1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9726 -0.2619 -0.6993 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9724 -0.2609 0.6993 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 1.6925 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4892 0.6687 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9933 -1.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1581 -0.3462 -1.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1576 -0.3436 1.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9507 0.3896 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3574 -0.4211 -0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3571 -0.4196 0.7021 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3016 -1.9843 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2903 -0.9125 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5067 0.5524 -2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3058 -1.1801 -1.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3054 -1.1786 1.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5059 0.5543 2.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 -2.4244 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1603 -0.3551 -2.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1595 -0.3509 2.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6670 1.1990 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2999 -0.4853 -1.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2994 -0.4829 1.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6460 -3.0114 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3353 -1.2047 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 9 1 0 0 0 0 3 10 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 13 2 0 0 0 0 10 14 1 0 0 0 0 11 17 2 0 0 0 0 11 23 1 0 0 0 0 12 15 1 0 0 0 0 12 24 1 0 0 0 0 13 16 1 0 0 0 0 13 25 1 0 0 0 0 14 18 2 0 0 0 0 14 26 1 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

spiro[1,3-dihydroindene-2,3'-imidazo[1,2-a]pyridine]-2'-one

4.2 InChI

InChI=1S/C15H12N2O/c18-14-15(17-8-4-3-7-13(17)16-14)9-11-5-1-2-6-12(11)10-15/h1-8H,9-10H2

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)