SIM1, 98%

cas: 2719051-84-8 — see every product listed under this CAS number, including other names

SIM1, 98% (CAS 2719051-84-8) is a chemical reagent available from Chemat. Available pack sizes: 10mg. Offered by: AmBeed.

brandAmBeed
catalog numberA2322193-10mg
cas2719051-84-8
size10mg
availability Synthetic Items: 0g
Documents: Safety Data Sheet (MSDS)
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Available pack sizes

brand size price
AmBeed 10mg 6280.54 Pln

properties

purity98%
delivery timeTo be confirmed by Chemat

(2S,4R)-1-[(2S)-2-[[2-[3-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]-2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxymethyl]-2-methylpropoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide (CAS 2719051-84-8) is a chemical compound with the molecular formula C79H98Cl2N14O13S3 and a molecular weight of 1618.8 g/mol. IUPAC name: (2S,4R)-1-[(2S)-2-[[2-[3-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]-2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxymethyl]-2-methylpropoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide. InChIKey: RARNTROXRCXFHV-CMRSQZKGSA-N.

Identity
Molecular formulaC79H98Cl2N14O13S3
Molecular weight1618.8 g/mol
IUPAC name(2S,4R)-1-[(2S)-2-[[2-[3-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]-2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxymethyl]-2-methylpropoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
InChIKeyRARNTROXRCXFHV-CMRSQZKGSA-N
SMILESCC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCOCCOCCOCC(C)(COCCOCCOCCNC(=O)C[C@H]4C5=NN=C(N5C6=C(C(=C(S6)C)C)C(=N4)C7=CC=C(C=C7)Cl)C)COCC(=O)N[C@H](C(=O)N8C[C@@H](C[C@H]8C(=O)NCC9=CC=C(C=C9)C1=C(N=CS1)C)O)C(C)(C)C)C1=CC=C(C=C1)Cl)C

Computed by PubChem (NCBI)

Synonyms: compound 3 [PMID: 34675414]

Also listed as

SIM1 GLPBio CAS 2719051-84-8
SIM1, 99.47% MedChemExpress CAS 2719051-84-8
SIM1, 99.72%, 99.72% Chemat CAS 2719051-84-8