Methyl 4-Methoxyacetoacetate

Analyte Name

Methyl 4-Methoxyacetoacetate

CAS Number

41051-15-4

Molecular Formula

C35 H32 Cl N3 O3 S

Molecular Weight

610.165

Accurate Mass

609.185

SMILES

CC(C)(C)C(=O)OCc1cccc(Cl)c1NC(=O)c2cnc(NC(c3ccccc3)(c4ccccc4)c5ccccc5)s2

InChI

InChI=1S/C35H32ClN3O3S/c1-34(2,3)32(41)42-23-24-14-13-21-28(36)30(24)38-31(40)29-22-37-33(43-29)39-35(25-15-7-4-8-16-25,26-17-9-5-10-18-26)27-19-11-6-12-20-27/h4-22H,23H2,1-3H3,(H,37,39)(H,38,40)

IUPAC

[3-chloro-2-[[2-(tritylamino)-1,3-thiazole-5-carbonyl]amino]phenyl]methyl 2,2-dimethylpropanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat