Tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol

For research use only. Not for therapeutic Use.

  • CAT Number: M000193
  • CAS Number: 1007882-23-6
  • PubChem Substance ID: 24898407
  • Molecular Formula: C36H44N6O4
  • Molecular Weight: 624.8
  • Purity: ≥95%
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Tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol (Cat.No:M000193) is a chemical compound used in the synthesis of Dacatavir, an investigational antiretroviral drug for treating HIV-1 infection. This intermediate plays a crucial role in the multi-step synthetic pathway, contributing to the creation of Dacatavir’s molecular structure. Its synthesis is a key step in the overall drug development process.


Catalog Number M000193
CAS Number 1007882-23-6
Molecular Formula C36H44N6O4
Purity ≥95%
IUPAC Name tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
InChI InChI=1S/C36H44N6O4/c1-35(2,3)45-33(43)41-19-7-9-29(41)31-37-21-27(39-31)25-15-11-23(12-16-25)24-13-17-26(18-14-24)28-22-38-32(40-28)30-10-8-20-42(30)34(44)46-36(4,5)6/h11-18,21-22,29-30H,7-10,19-20H2,1-6H3,(H,37,39)(H,38,40)/t29-,30-/m0/s1
InChIKey WPMTYMFNINZZHE-KYJUHHDHSA-N
SMILES CC(C)(C)OC(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)C6CCCN6C(=O)OC(C)(C)C

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