4-(2-Chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-propanoic Acid Methyl Ester

cas: 100827-83-6 — see every product listed under this CAS number, including other names

4-(2-Chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-propanoic Acid Methyl Ester (CAS 100827-83-6) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 2mg, 5mg, 25mg, 10mg. Offered by: TRC, Biosynth.

brandTRC
catalog numberTRC-C379565-1MG
cas100827-83-6
size1mg
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properties

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Structural formula: {0} (CAS {1})

Methyl 3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]propanoate (CAS 100827-83-6) is a chemical compound with the molecular formula C19H17ClN4O2S and a molecular weight of 400.9 g/mol. IUPAC name: methyl 3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]propanoate. InChIKey: VSABTYQNDUFGOA-UHFFFAOYSA-N.

Identity
Molecular formulaC19H17ClN4O2S
Molecular weight400.9 g/mol
IUPAC namemethyl 3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]propanoate
InChIKeyVSABTYQNDUFGOA-UHFFFAOYSA-N
SMILESCC1=NN=C2N1C3=C(C=C(S3)CCC(=O)OC)C(=NC2)C4=CC=CC=C4Cl

Computed by PubChem (NCBI)

Isomers (same molecular formula)
6-(2-chloropyrrol-1-yl)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole C19H17ClN4O2S
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]acetic acid C19H17ClN4O2S
2-[(9R)-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]acetic acid C19H17ClN4O2S