Products 2920904-06-7

CAS 2920904-06-7 appears in our catalog under these names: SARS–CoV–2–IN–41, Simnotrelvir, 99.62%, (S)-N-((S)-1-Cyano-2-((S)-2-oxopyrrolidin-3-yl)ethyl)-7-((S)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 99%. Offered by: GLPBio, MedChemExpress, BLDpharm. Available pack sizes: 1mg, 10mM (in 1ml dmso), 100 mg, 10 mg, 1 mg, 1 g, 50 mg, 25 mg.

SARS–CoV–2–IN–41
GLPBio
  • size: 1mg, 10mM (in 1ml dmso)
  • Variants: 2
from 2436.48
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Simnotrelvir, 99.62%
MedChemExpress
  • size: 100 mg, 10 mg, 1 mg, 1 g
  • Variants: 10
from 598.33
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(S)-N-((S)-1-Cyano-2-((S)-2-oxopyrrolidin-3-yl)ethyl)-7-((S)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 99%
BLDpharm
  • size: 1mg, 5mg, 10mg
  • Variants: 3
from 486.52
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Structural formula: {0} (CAS {1})

(8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-7-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide (CAS 2920904-06-7) is a chemical compound with the molecular formula C22H30F3N5O4S2 and a molecular weight of 549.6 g/mol. IUPAC name: (8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-7-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide. InChIKey: LQBRGTAIBBFUJJ-ZQDZILKHSA-N.

Identity
Molecular formulaC22H30F3N5O4S2
Molecular weight549.6 g/mol
IUPAC name(8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-7-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide
InChIKeyLQBRGTAIBBFUJJ-ZQDZILKHSA-N
SMILESCC(C)(C)[C@@H](C(=O)N1CC2(C[C@H]1C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)SCCS2)NC(=O)C(F)(F)F

Computed by PubChem (NCBI)

Synonyms: SARS-CoV-2-IN-41, Simnotrelvir (SIM0417, orb1944303, SARS-CoV-2-IN-41)