Tofacitinib Impurity 24

cas: 2459302-85-1 — see every product listed under this CAS number, including other names

Tofacitinib Impurity 24 (CAS 2459302-85-1) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-T060350
cas2459302-85-1
sizeon request
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Structural formula: {0} (CAS {1})

Ethyl (E)-3-amino-2-cyano-5-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-5-oxopent-2-enoate (CAS 2459302-85-1) is a chemical compound with the molecular formula C21H27N7O3 and a molecular weight of 425.5 g/mol. IUPAC name: ethyl (E)-3-amino-2-cyano-5-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-5-oxopent-2-enoate. InChIKey: DMWDXJYYEFUBGG-DFIXCJIPSA-N.

Identity
Molecular formulaC21H27N7O3
Molecular weight425.5 g/mol
IUPAC nameethyl (E)-3-amino-2-cyano-5-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-5-oxopent-2-enoate
InChIKeyDMWDXJYYEFUBGG-DFIXCJIPSA-N
SMILESCCOC(=O)/C(=C(\CC(=O)N1CC[C@H]([C@H](C1)N(C)C2=NC=NC3=C2C=CN3)C)/N)/C#N

Computed by PubChem (NCBI)

Isomers (same molecular formula)
ethyl 4-cyano-3-imino-5-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-5-oxopentanoate C21H27N7O3
4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[[(3S)-piperidin-3-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol C21H27N7O3

Also listed as

Ethyl (E)-3-amino-2-cyano-5-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-5-oxopent-2-enoate, 98% Chemat Brand CAS 2459302-85-1
Tofacitinib Related Compound 35 Chemat Brand CAS 2459302-85-1