Bromodomain IN-1

cas: 1914120-48-1 — see every product listed under this CAS number, including other names

Bromodomain IN-1 (CAS 1914120-48-1) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas1914120-48-1
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Structural formula: {0} (CAS {1})

3-hydroxypropyl 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]acetate (CAS 1914120-48-1) is a chemical compound with the molecular formula C22H23ClN4O3S and a molecular weight of 459.0 g/mol. IUPAC name: 3-hydroxypropyl 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]acetate. InChIKey: SSOICPCYGKNSNG-KRWDZBQOSA-N.

Identity
Molecular formulaC22H23ClN4O3S
Molecular weight459.0 g/mol
IUPAC name3-hydroxypropyl 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]acetate
InChIKeySSOICPCYGKNSNG-KRWDZBQOSA-N
SMILESCC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OCCCO)C4=CC=C(C=C4)Cl)C

Computed by PubChem (NCBI)

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