Products 1993530-21-4

CAS 1993530-21-4 is the registry number for 10-(1-Methylpiperidin-4-ylidene)-5,10-dihydro-4h-benzo[5,6]cyclohepta[1,2-b]thiophen-4-one fumarate, 95%. Offered by: Combi-blocks. Available pack sizes: 250mg, 1g.

10-(1-Methylpiperidin-4-ylidene)-5,10-dihydro-4h-benzo[5,6]cyclohepta[1,2-b]thiophen-4-one fumarate, 95%
Combi-blocks
  • size: 250mg, 1g
  • Variants: 2
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Structural formula: {0} (CAS {1})

(E)-but-2-enedioic acid;2-(1-methylpiperidin-4-ylidene)-4-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-8-one (CAS 1993530-21-4) is a chemical compound with the molecular formula C23H23NO5S and a molecular weight of 425.5 g/mol. IUPAC name: (E)-but-2-enedioic acid;2-(1-methylpiperidin-4-ylidene)-4-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-8-one. InChIKey: UXOLVFLCMZQATB-WLHGVMLRSA-N.

Identity
Molecular formulaC23H23NO5S
Molecular weight425.5 g/mol
IUPAC name(E)-but-2-enedioic acid;2-(1-methylpiperidin-4-ylidene)-4-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-8-one
InChIKeyUXOLVFLCMZQATB-WLHGVMLRSA-N
SMILESCN1CCC(=C2C3=CC=CC=C3CC(=O)C4=C2SC=C4)CC1.C(=C/C(=O)O)\C(=O)O

Computed by PubChem (NCBI)

Isomers (same molecular formula)
4-[(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)methyl]benzoic acid C23H23NO5S
(E)-but-2-enedioic acid;2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one C23H23NO5S
(E)-but-2-enedioic acid;2-[1-(trideuteriomethyl)piperidin-4-ylidene]-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one C23H23NO5S