1. Primary Information
| English name: | - |
| CAS No.: | 193098-40-7 |
| Molecular formula: | - |
| Molecular weight: | - g/mol |
| SMILES: | - |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5g | AR | 16 | RT | in stock | - |
| Kehua Intelligence | 25g | AR | 64 | RT | in stock | - |
| Kehua Intelligence | 100g | AR | 192 | RT | in stock | - |
| Kehua Intelligence | 500g | AR | 880 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
1-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]cyclohexyl]-4-(2-methoxyphenyl)but-3-en-2-one;1-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]cyclohexyl]-4-(3-methoxyphenyl)but-3-en-2-one;1-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]cyclohexyl]-4-(4-methoxyphenyl)but-3-en-2-one;1-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]cyclohexyl]-4-(2-methylphenyl)but-3-en-2-one;1-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]cyclohexyl]-4-(3-methylphenyl)but-3-en-2-one;1-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]cyclohexyl]-4-pyridin-2-ylbut-3-en-2-one;1-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]cyclohexyl]-4-pyridin-3-ylbut-3-en-2-one
4.2 InChI
InChI=1S/3C29H41N3O2S.2C29H41N3OS.2C27H38N4OS/c1-3-17-32(24-11-15-27-28(20-24)35-29(30)31-27)18-16-22-4-6-23(7-5-22)19-25(33)12-8-21-9-13-26(34-2)14-10-21;1-3-16-32(24-12-14-27-28(20-24)35-29(30)31-27)17-15-21-7-9-23(10-8-21)18-25(33)13-11-22-5-4-6-26(19-22)34-2;1-3-17-32(24-13-15-26-28(20-24)35-29(30)31-26)18-16-21-8-10-22(11-9-21)19-25(33)14-12-23-6-4-5-7-27(23)34-2;1-3-16-32(25-12-14-27-28(20-25)34-29(30)31-27)17-15-22-7-9-24(10-8-22)19-26(33)13-11-23-6-4-5-21(2)18-23;1-3-17-32(25-13-15-27-28(20-25)34-29(30)31-27)18-16-22-8-10-23(11-9-22)19-26(33)14-12-24-7-5-4-6-21(24)2;1-2-15-31(23-10-12-25-26(18-23)33-27(28)30-25)16-13-20-5-7-21(8-6-20)17-24(32)11-9-22-4-3-14-29-19-22;1-2-16-31(23-11-13-25-26(19-23)33-27(28)30-25)17-14-20-6-8-21(9-7-20)18-24(32)12-10-22-5-3-4-15-29-22/h8-10,12-14,22-24H,3-7,11,15-20H2,1-2H3,(H2,30,31);4-6,11,13,19,21,23-24H,3,7-10,12,14-18,20H2,1-2H3,(H2,30,31);4-7,12,14,21-22,24H,3,8-11,13,15-20H2,1-2H3,(H2,30,31);4-6,11,13,18,22,24-25H,3,7-10,12,14-17,19-20H2,1-2H3,(H2,30,31);4-7,12,14,22-23,25H,3,8-11,13,15-20H2,1-2H3,(H2,30,31);3-4,9,11,14,19-21,23H,2,5-8,10,12-13,15-18H2,1H3,(H2,28,30);3-5,10,12,15,20-21,23H,2,6-9,11,13-14,16-19H2,1H3,(H2,28,30)
4.3 InChIKey
FELBQYNPFRNICF-UHFFFAOYSA-N
4.4 Canonical SMILES
CCCN(CCC1CCC(CC1)CC(=O)C=CC2=CC=C(C=C2)OC)C3CCC4=C(C3)SC(=N4)N.CCCN(CCC1CCC(CC1)CC(=O)C=CC2=CC(=CC=C2)OC)C3CCC4=C(C3)SC(=N4)N.CCCN(CCC1CCC(CC1)CC(=O)C=CC2=CN=CC=C2)C3CCC4=C(C3)SC(=N4)N.CCCN(CCC1CCC(CC1)CC(=O)C=CC2=CC=CC(=C2)C)C3CCC4=C(C3)SC(=N4)N.CCCN(CCC1CCC(CC1)CC(=O)C=CC2=CC=CC=C2C)C3CCC4=C(C3)SC(=N4)N.CCCN(CCC1CCC(CC1)CC(=O)C=CC2=CC=CC=C2OC)C3CCC4=C(C3)SC(=N4)N.CCCN(CCC1CCC(CC1)CC(=O)C=CC2=CC=CC=N2)C3CCC4=C(C3)SC(=N4)N
4.5 Isomeric SMILES
-
