1-[(3S,3AR,6S,6aR)-6-[5-(4-Imidazol-1-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[2,3-d]furan-3-yl]-3-(3-cyanophenyl)urea

Analyte Name

1-[(3S,3AR,6S,6aR)-6-[5-(4-Imidazol-1-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[2,3-d]furan-3-yl]-3-(3-cyanophenyl)urea

CAS Number

1212619-49-2

Molecular Formula

C24H21N9O4

Molecular Weight

499.48

Accurate Mass

499.17

SMILES

O=C(N[C@H]1CO[C@@]2([H])[C@]1([H])OCC2N3C(OC4=CC=C(N5C=CN=C5)C=C4)=NN=N3)NC6=CC(C#N)=CC=C6

InChI

InChI=1S/C24H21N9O4/c25-11-15-2-1-3-16(10-15)27-23(34)28-19-12-35-22-20(13-36-21(19)22)33-24(29-30-31-33)37-18-6-4-17(5-7-18)32-9-8-26-14-32/h1-10,14,19-22H,12-13H2,(H2,27,28,34)/t19-,20?,21+,22+/m0/s1

IUPAC

1-((3S,3aR,6aR)-6-(5-(4-(1H-imidazol-1-yl)phenoxy)-1H-tetrazol-1-yl)hexahydrofuro[3,2-b]furan-3-yl)-3-(3-cyanophenyl)urea

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat