Account Methyl 2-{[4-(4-bromophenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetate
- Catalog No. :
- ACRXEA752
- CAS No. :
- 613228-42-5
- Molecular Formula :
- C19H17BrN2O3S2
- Molecular Weight :
- 465.39
IUPAC Name:methyl 2-((3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate
![Methyl 2-{[4-(4-bromophenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | Methyl 2-{[4-(4-bromophenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetate |
|---|---|
| IUPAC Name | methyl 2-((3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate |
| MDL No. | MFCD03417412 |
| Molecular Formula | C19H17BrN2O3S2 |
| Molecular Weight | 465.39 |
| SMILES | O=C(OC)CSC1=NC2=C(C(N1C3=CC=C(Br)C=C3)=O)C4=C(CCCC4)S2 |
| InChI Key | GQPLDBPXJFSRBE-UHFFFAOYSA-N |
| Synonym | methyl 2-((3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate;methyl 2-{[4-(4-bromophenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetate;Acetic acid, 2-[[3-(4-bromophenyl)-3,4,5,6,7,8-hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl]thio]-, methyl ester;METHYL {[3-(4-BROMOPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}ACETATE |
| CAS No. | 613228-42-5 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H315-H319
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACRXEA752 Molecular Building Block Synthetic Route
Methyl 2-{[4-(4-methylphenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetate
2-((4-Oxo-3-phenyl-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid
5-[(2-Hydroxyethyl)sulfanyl]-4-phenyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one