1. Primary Information
| English name: | [3-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylphenyl)phenyl] 4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoate;2-[3-[(9H-fluoren-9-ylhydrazinylidene)methyl]-4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxyphenyl]ethyl 4-propylbenzoate;(4-propylphenyl) 3-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxybenzoate |
| CAS No.: | 9023-78-3 |
| Molecular formula: | C139H138N8O28S2 |
| Molecular weight: | 2432.7 g/mol |
| SMILES: | CCCC1=CC=C(C=C1)C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)OCC(COCCCCOC(=O)C=C)OC(=O)C=C)C=NNC4=NC5=CC=CC=C5S4.CCCC1=CC=C(C=C1)C(=O)OCCC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)OCC(COCCCCOC(=O)C=C)OC(=O)C=C)C=NNC4C5=CC=CC=C5C6=CC=CC=C46.CCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)OCC(COCCCCOC(=O)C=C)OC(=O)C=C)C=NNC4=NC5=CC=CC=C5S4 |
| Structural class: | |
| Other identifiers: |
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2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1mg | BR，3500u/mg | 1520 | -20℃ | in stock | - |
| Kehua Intelligence | 5mg | BR，3500u/mg | 6160 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | III-S型，硫酸铵悬浮液，≥4,000u/mg蛋白 | 5360 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[3-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylphenyl)phenyl] 4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoate;2-[3-[(9H-fluoren-9-ylhydrazinylidene)methyl]-4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxyphenyl]ethyl 4-propylbenzoate;(4-propylphenyl) 3-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoyl]oxybenzoate
4.2 InChI
InChI=1S/C52H52N2O10.C44H43N3O10S.C43H43N3O8S/c1-4-13-36-18-21-38(22-19-36)51(57)61-31-28-37-20-27-47(40(32-37)33-53-54-50-45-16-9-7-14-43(45)44-15-8-10-17-46(44)50)64-52(58)39-23-25-41(26-24-39)62-35-42(63-49(56)6-3)34-59-29-11-12-30-60-48(55)5-2;1-4-11-30-14-19-35(20-15-30)56-43(51)32-18-23-38(33(26-32)27-45-47-44-46-37-12-7-8-13-39(37)58-44)57-42(50)31-16-21-34(22-17-31)54-29-36(55-41(49)6-3)28-52-24-9-10-25-53-40(48)5-2;1-4-11-30-14-16-31(17-15-30)37-23-22-35(26-33(37)27-44-46-43-45-38-12-7-8-13-39(38)55-43)54-42(49)32-18-20-34(21-19-32)52-29-36(53-41(48)6-3)28-50-24-9-10-25-51-40(47)5-2/h5-10,14-27,32-33,42,50,54H,2-4,11-13,28-31,34-35H2,1H3;5-8,12-23,26-27,36H,2-4,9-11,24-25,28-29H2,1H3,(H,46,47);5-8,12-23,26-27,36H,2-4,9-11,24-25,28-29H2,1H3,(H,45,46)
4.3 InChIKey
BTIFJZBNNZJIKS-UHFFFAOYSA-N
4.4 Canonical SMILES
CCCC1=CC=C(C=C1)C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)OCC(COCCCCOC(=O)C=C)OC(=O)C=C)C=NNC4=NC5=CC=CC=C5S4.CCCC1=CC=C(C=C1)C(=O)OCCC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)OCC(COCCCCOC(=O)C=C)OC(=O)C=C)C=NNC4C5=CC=CC=C5C6=CC=CC=C46.CCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)OCC(COCCCCOC(=O)C=C)OC(=O)C=C)C=NNC4=NC5=CC=CC=C5S4
4.5 Isomeric SMILES
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