Kehua AI (Shenzhen) Innovative Drug R&D Co., Ltd.    Healthy Roots Biotechnology (Shenzhen) Co., Limited    Joint Development

1. Primary Information

English name: 3-benzyl-6-[(5-tert-butyl-1,3-oxazol-4-yl)methylidene]piperazine-2,5-dione;3-benzyl-6-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]piperazine-2,5-dione;3-[[2-(3-methylbut-2-enyl)-1H-imidazol-5-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione;3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione
CAS No.: 65546-95-4
Molecular formula: C71H87N15O9
Molecular weight: 1294.5 g/mol
SMILES: CC(C)C1C(=O)NC(=CC2=CN=C(N2)CC=C(C)C)C(=O)N1.CC(C)C1C(=O)NC(=CC2=C(NC=N2)C(C)(C)C=C)C(=O)N1.CC(C)(C)C1=C(N=CO1)C=C2C(=O)NC(C(=O)N2)CC3=CC=CC=C3.CC(C)(C=C)C1=C(N=CN1)C=C2C(=O)NC(C(=O)N2)CC3=CC=CC=C3
Structural class:
Other identifiers:

sephacryl S 200

sephacryl S-200

2. Suppliers & Pricing

Supplier Pack size Purity Price (CNY) Storage conditions Lead time Notes
Kehua Intelligence 150ml 含20%-30%乙醇,球蛋白分离范围5×10<sup>3</sup>~2.5×10<sup>5</sup>;葡聚糖分离范围1×10<sup>3</sup>~8×10<sup>4</sup> 2640 RT in stock -
Kehua Intelligence 150ml 含20%-30%乙醇,球蛋白分离范围1×10<sup>4</sup>~1.5×10<sup>6</sup>;葡聚糖分离范围2×10<sup>3</sup>~4×10<sup>5</sup> 2640 RT in stock -
Kehua Intelligence 150ml 含20%-30%乙醇,球蛋白分离范围2×10<sup>4</sup>~8×10<sup>6</sup>;葡聚糖分离范围1×10<sup>4</sup>~2×10<sup>6</sup> 3200 RT in stock -
Kehua Intelligence 150ml 含20%-30%乙醇,球蛋白分离范围4×10<sup>4</sup>~1×10<sup>7</sup>;葡聚糖分离范围4×10<sup>4</sup> ~2×10<sup>7</sup> 3200 RT in stock -

3. Structures

3.1 2D structure


3.2 3D structure

Coming soon

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3-benzyl-6-[(5-tert-butyl-1,3-oxazol-4-yl)methylidene]piperazine-2,5-dione;3-benzyl-6-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]piperazine-2,5-dione;3-[[2-(3-methylbut-2-enyl)-1H-imidazol-5-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione;3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione


4.2 InChI

InChI=1S/C20H22N4O2.C19H21N3O3.2C16H22N4O2/c1-4-20(2,3)17-14(21-12-22-17)11-16-19(26)23-15(18(25)24-16)10-13-8-6-5-7-9-13;1-19(2,3)16-13(20-11-25-16)10-15-18(24)21-14(17(23)22-15)9-12-7-5-4-6-8-12;1-9(2)5-6-13-17-8-11(18-13)7-12-15(21)20-14(10(3)4)16(22)19-12;1-6-16(4,5)13-10(17-8-18-13)7-11-14(21)20-12(9(2)3)15(22)19-11/h4-9,11-12,15H,1,10H2,2-3H3,(H,21,22)(H,23,26)(H,24,25);4-8,10-11,14H,9H2,1-3H3,(H,21,24)(H,22,23);5,7-8,10,14H,6H2,1-4H3,(H,17,18)(H,19,22)(H,20,21);6-9,12H,1H2,2-5H3,(H,17,18)(H,19,22)(H,20,21)


4.3 InChIKey

XTSCADJWVAAPTO-UHFFFAOYSA-N


4.4 Canonical SMILES

CC(C)C1C(=O)NC(=CC2=CN=C(N2)CC=C(C)C)C(=O)N1.CC(C)C1C(=O)NC(=CC2=C(NC=N2)C(C)(C)C=C)C(=O)N1.CC(C)(C)C1=C(N=CO1)C=C2C(=O)NC(C(=O)N2)CC3=CC=CC=C3.CC(C)(C=C)C1=C(N=CN1)C=C2C(=O)NC(C(=O)N2)CC3=CC=CC=C3


4.5 Isomeric SMILES

-

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon
-- No 3D model data available --