LIT-001

cas: 2245072-21-1 — see every product listed under this CAS number, including other names

LIT-001 (CAS 2245072-21-1) is a chemical reagent available from Chemat. Available pack sizes: 25mg, 10mg, 50mg, 100mg. Offered by: Biosynth.

brandBiosynth
catalog numberVPD07221-25mg
cas2245072-21-1
size25mg
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properties

categoryLife Sciences
sub-category 1Ligands
purityNo data
delivery time3-4 Weeks
Structural formula: {0} (CAS {1})

(2S)-2-(dimethylcarbamothioyl)-N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid (CAS 2245072-21-1) is a chemical compound with the molecular formula C30H34F3N7O4S and a molecular weight of 645.7 g/mol. IUPAC name: (2S)-2-(dimethylcarbamothioyl)-N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid. InChIKey: BZHSRXWFCSEPQQ-JIDHJSLPSA-N.

Identity
Molecular formulaC30H34F3N7O4S
Molecular weight645.7 g/mol
IUPAC name(2S)-2-(dimethylcarbamothioyl)-N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
InChIKeyBZHSRXWFCSEPQQ-JIDHJSLPSA-N
SMILESCC1=C(C=CC(=C1)C(=O)N2CC3=C(NC4=CC=CC=C42)N(N=C3)C)CNC(=O)N5CCC[C@H]5C(=S)N(C)C.C(=O)(C(F)(F)F)O

Computed by PubChem (NCBI)

Synonyms: orb1219619, orb1309476
Isomers (same molecular formula)
tert-butyl N-[[1-(2-amino-2-oxoethyl)-2-oxo-3H-benzimidazol-5-yl]methyl]-N-[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]carbamate C30H34F3N7O4S

Also listed as

LIT-001/ 96.88% (existing batch purity) TargetMol CAS 2245072-21-1
LIT–001 GLPBio CAS 2245072-21-1
(S)-2-(Dimethylcarbamothioyl)-N-(2-methyl-4-(1-methyl-1,4,5,10-tetrahydrobenzo[b]pyrazolo[3,4-e][1,4]diazepine-5-carbonyl)benzyl)pyrrolidine-1-carboxamide 2,2,2-trifluoroacetate, 98%, 98% Chemat CAS 2245072-21-1
LIT-001, 99.91% MedChemExpress CAS 2245072-21-1
(S)-2-(Dimethylcarbamothioyl)-N-(2-methyl-4-(1-methyl-1,4,5,10-tetrahydrobenzo[b]pyrazolo[3,4-e][1,4]diazepine-5-carbonyl)benzyl)pyrrolidine-1-carboxamide 2,2,2-trifluoroacetate, 98% BLDpharm CAS 2245072-21-1