Products 28097-03-2

CAS 28097-03-2 appears in our catalog under these names: Chaetocin, 95%, Chaetocin, 99+%, Chaetocin/ 98.82% (existing batch purity), Chaetocin, Chaetocin 98+%. Offered by: Combi-blocks, AmBeed, TargetMol, GLPBio, Sigma-Aldrich. Available pack sizes: 5mg, 10mg, 50mg, 100mg, 1mg, 25mg, 10mM (in 1ml dmso), 1 mg.

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

(1S,3R,11R,14S)-14-(hydroxymethyl)-3-[(1S,3R,11R,14S)-14-(hydroxymethyl)-18-methyl-13,17-dioxo-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-trien-3-yl]-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione (CAS 28097-03-2) is a chemical compound with the molecular formula C30H28N6O6S4 and a molecular weight of 696.8 g/mol. IUPAC name: (1S,3R,11R,14S)-14-(hydroxymethyl)-3-[(1S,3R,11R,14S)-14-(hydroxymethyl)-18-methyl-13,17-dioxo-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-trien-3-yl]-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione. InChIKey: PZPPOCZWRGNKIR-PNVYSBBASA-N.

Identity
Molecular formulaC30H28N6O6S4
Molecular weight696.8 g/mol
IUPAC name(1S,3R,11R,14S)-14-(hydroxymethyl)-3-[(1S,3R,11R,14S)-14-(hydroxymethyl)-18-methyl-13,17-dioxo-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-trien-3-yl]-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione
InChIKeyPZPPOCZWRGNKIR-PNVYSBBASA-N
SMILESCN1C(=O)[C@@]23C[C@]4([C@@H](N2C(=O)[C@@]1(SS3)CO)NC5=CC=CC=C54)[C@]67C[C@]89C(=O)N([C@](C(=O)N8[C@H]6NC1=CC=CC=C71)(SS9)CO)C

Computed by PubChem (NCBI)