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sodium 3-{2-[4-(1,3-dibutyl-4,6-dioxo-2-sulfanylidenetetrahydropyrimidin-5(2H)-ylidene)but-2-en-1-ylidene]-1,3-benzoxazol-3(2H)-yl}
For research use only, not for therapeutic use.
Sodium 3-{2-[4-(1,3-dibutyl-4,6-dioxo-2-sulfanylidenetetrahydropyrimidin-5(2H)-ylidene)but-2-en-1-ylidene]-1,3-benzoxazol-3(2H)-yl} (Cat.No:L004204) is a significant chemical compound with versatile applications. Its complex structure, incorporating a benzoxazole and sulfanylidenetetrahydropyrimidine, imparts unique reactivity. This compound is employed in various fields including pharmaceuticals and materials science.
Catalog Number | L004204 |
CAS Number | 62796-23-0 |
Molecular Formula | C26H32N3NaO6S2 |
Purity | ≥95% |
IUPAC Name | sodium;3-[(2E)-2-[(E)-4-(1,3-dibutyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)but-2-enylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonate |
InChI | InChI=1S/C26H33N3O6S2.Na/c1-3-5-16-28-24(30)20(25(31)29(26(28)36)17-6-4-2)12-7-10-15-23-27(18-11-19-37(32,33)34)21-13-8-9-14-22(21)35-23;/h7-10,12-15H,3-6,11,16-19H2,1-2H3,(H,32,33,34);/q;+1/p-1/b10-7+,23-15+; |
InChIKey | OSQUFVVXNRMSHL-SQAHINLZSA-M |
SMILES | CCCCN1C(=O)C(=C/C=C/C=C /N(C3=CC=CC=C3O2)CCCS(=O)(=O)[O-])C(=O)N(C1=S)CCCC.[Na+] |