Account Cetotiamine
- Catalog No. :
- ACRVHL335
- CAS No. :
- 137-76-8
- Molecular Formula :
- C18H26N4O6S
- Molecular Weight :
- 426.49
IUPAC Name:4-(N-((4-amino-2-methylpyrimidin-5-yl)methyl)formamido)-3-((ethoxycarbonyl)thio)pent-3-en-1-yl ethyl carbonate
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Product Information
| Product Name | Cetotiamine |
|---|---|
| IUPAC Name | 4-(N-((4-amino-2-methylpyrimidin-5-yl)methyl)formamido)-3-((ethoxycarbonyl)thio)pent-3-en-1-yl ethyl carbonate |
| Molecular Formula | C18H26N4O6S |
| Molecular Weight | 426.49 |
| SMILES | CCOC(=O)OCCC(SC(=O)OCC)=C(C)N(C=O)CC1=CN=C(C)N=C1N |
| InChI Key | YBROOZNJUDHTGE-UHFFFAOYSA-N |
| Synonym | Cetotiamine;O,S-Bis(ethoxycarbonyl)thiamine;4-Amino-5-[(4-ethoxycarbonyloxy-2-ethoxycarbonylthio-1-methyl-1-butenyl)-N-formylaminomethyl]-2-methylpyrimidine;Carbonic acid 4-[[(4-amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino]-3-[(ethoxycarbonyl)thio]-3-pentenyl ethyl;Carbonic acid ethyl 4-[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-formylamino]-3-(ethoxycarbonylthio)-3-pentenyl ester;DCET;O,S-Dicarbethoxythiamine;Cetotiamina |
| CAS No. | 137-76-8 |
Synthetic Route by SureRoute
2. ACRVHL335 Molecular Building Block Synthetic Route
N-((4-Amino-2-methylpyrimidin-5-yl)methyl)-N-(1-(2-oxo-1,3-oxathian-4-ylidene)ethyl)formamide
((2-(N-((4-Amino-2-methylpyrimidin-5-yl)methyl)formamido)-5-hydroxypent-2-en-3-yl)thio)methyl benzoate
Disulfanediylbis(4-(N-((4-amino-2-methylpyrimidin-5-yl)methyl)formamido)pent-3-ene-3,1-diyl) dibutyrate
