Products 3027501-51-2

CAS 3027501-51-2 is the registry number for anti-TNBC agent-4. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

(1S,2R,4R,7E,11S)-4-methyl-12-methylidene-8-[[4-(5-sulfanylidenedithiol-3-yl)phenoxy]methyl]-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one (CAS 3027501-51-2) is a chemical compound with the molecular formula C24H24O4S3 and a molecular weight of 472.6 g/mol. IUPAC name: (1S,2R,4R,7E,11S)-4-methyl-12-methylidene-8-[[4-(5-sulfanylidenedithiol-3-yl)phenoxy]methyl]-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one. InChIKey: YMBSYMMRLQHOJD-CTLHKQKNSA-N.

Identity
Molecular formulaC24H24O4S3
Molecular weight472.6 g/mol
IUPAC name(1S,2R,4R,7E,11S)-4-methyl-12-methylidene-8-[[4-(5-sulfanylidenedithiol-3-yl)phenoxy]methyl]-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
InChIKeyYMBSYMMRLQHOJD-CTLHKQKNSA-N
SMILESC[C@@]12CC/C=C(\CC[C@@H]3[C@@H]([C@H]1O2)OC(=O)C3=C)/COC4=CC=C(C=C4)C5=CC(=S)SS5

Computed by PubChem (NCBI)

Synonyms: orb3133203