diABZI STING Agonist-1 hydrochloride (1:3)
Product Specifications
Hazard Statement
No Data Available
Smiles
O=C(N)C1=CC(OCCCN2CCOCC2)=C3C(N=C(N3C/C=C/CN4C5=C(C=C(C=C5N=C4NC(C6=CC(C)=NN6CC)=O)C(N)=O)OC)NC(C7=CC(C)=NN7CC)=O)=C1.Cl.Cl.Cl
Molecular Formula
C42H51N13O7 • 3 HCl
Molecular Weight
959.33
InChI
InChI=1S/C42H51N13O7.3ClH/c1-6-54-31(19-25(3)49-54)39(58)47-41-45-29-21-27(37(43)56)23-33(60-5)35(29)52(41)12-8-9-13-53-36-30(46-42(53)48-40(59)32-20-26(4)50-55(32)7-2)22-28(38(44)57)24-34(36)62-16-10-11-51-14-17-61-18-15-51;;;/h8-9,19-24H,6-7,10-18H2,1-5H3,(H2,43,56)(H2,44,57)(H,45,47,58)(H,46,48,59);3*1H/b9-8+;;;
Additionnal Information
IUPAC name: (E)-1-(4-(5-carbamoyl-2-(1-ethyl-3-methyl-1H-pyrazole-5-carboxamido)-7-(3-morpholinopropoxy)-1H-benzo[d]imidazol-1-yl)but-2-en-1-yl)-2-(1-ethyl-3-methyl-1H-pyrazole-5-carboxamido)-7-methoxy-1H-benzo[d]imidazole-5-carboxamide trihydrochloride
Shipping Conditions
Room Temperature
CAS Number
2138299-34-8
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