For research use only. Not for therapeutic Use.
| Catalog Number | M091314 |
| CAS Number | 144722-72-5 |
| Synonyms | oxythiamine disulfide nicotinate |
| Molecular Formula | C36H38N8O8S2 |
| Purity | ≥95% |
| Storage | Store at RT |
| IUPAC Name | [4-[formyl-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]amino]-3-[[2-[formyl-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]amino]-5-(pyridine-3-carbonyloxy)pent-2-en-3-yl]disulfanyl]pent-3-enyl] pyridine-3-carboxylate |
| InChI | InChI=1S/C36H38N8O8S2/c1-23(43(21-45)19-29-17-39-25(3)41-33(29)47)31(9-13-51-35(49)27-7-5-11-37-15-27)53-54-32(10-14-52-36(50)28-8-6-12-38-16-28)24(2)44(22-46)20-30-18-40-26(4)42-34(30)48/h5-8,11-12,15-18,21-22H,9-10,13-14,19-20H2,1-4H3,(H,39,41,47)(H,40,42,48) |
| InChIKey | DQCFFVJSPGNCNI-UHFFFAOYSA-N |
| SMILES | CC1=NC=C(C(=O)N1)CN(C=O)C(=C(CCOC(=O)C2=CN=CC=C2)SSC(=C(C)N(CC3=CN=C(NC3=O)C)C=O)CCOC(=O)C4=CN=CC=C4)C |
