CAS 2231812-31-8 appears in our catalog under these names: CXCR7 modulator 1, 99+%, CXCR7 modulator 1, CXCR7 modulator 1, 99.50%, 99.50%, CXCR7 modulator 1, 99.27%. Offered by: AmBeed, GLPBio, Chemat, MedChemExpress. Available pack sizes: 100mg, 1mg, 5mg, 10mM (in 1ml dmso), 10mg, 100 mg, 25 mg, 5 mg.
(3S,6S,9R,12S,18R)-9-benzyl-16-[3-(2,4-difluorophenyl)propyl]-6-(2,2-dimethylpropyl)-12-(phenylmethoxymethyl)-3-(1,3-thiazol-4-ylmethyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone (CAS 2231812-31-8) is a chemical compound with the molecular formula C48H57F2N7O7S and a molecular weight of 914.1 g/mol. IUPAC name: (3S,6S,9R,12S,18R)-9-benzyl-16-[3-(2,4-difluorophenyl)propyl]-6-(2,2-dimethylpropyl)-12-(phenylmethoxymethyl)-3-(1,3-thiazol-4-ylmethyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone. InChIKey: ONBLFYRZNQPUFU-UNWHFORBSA-N.
| Molecular formula | C48H57F2N7O7S |
|---|---|
| Molecular weight | 914.1 g/mol |
| IUPAC name | (3S,6S,9R,12S,18R)-9-benzyl-16-[3-(2,4-difluorophenyl)propyl]-6-(2,2-dimethylpropyl)-12-(phenylmethoxymethyl)-3-(1,3-thiazol-4-ylmethyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone |
| InChIKey | ONBLFYRZNQPUFU-UNWHFORBSA-N |
| SMILES | CC(C)(C)C[C@H]1C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(=O)N(CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC3=CC=CC=C3)COCC4=CC=CC=C4)CCCC5=C(C=C(C=C5)F)F)CC6=CSC=N6 |
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