Products 3037777-07-1

CAS 3037777-07-1 is the registry number for Di(MMY-SJG)-Ph-prop-2-yne-1-sulfonic acid. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

3-[3,5-bis[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxymethyl]phenyl]prop-2-yne-1-sulfonic acid (CAS 3037777-07-1) is a chemical compound with the molecular formula C39H36N4O9S and a molecular weight of 736.8 g/mol. IUPAC name: 3-[3,5-bis[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxymethyl]phenyl]prop-2-yne-1-sulfonic acid. InChIKey: VIRSRYACYGZFBR-VMPREFPWSA-N.

Identity
Molecular formulaC39H36N4O9S
Molecular weight736.8 g/mol
IUPAC name3-[3,5-bis[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxymethyl]phenyl]prop-2-yne-1-sulfonic acid
InChIKeyVIRSRYACYGZFBR-VMPREFPWSA-N
SMILESCOC1=C(C=C2C(=C1)C(=O)N3CC(=C)C[C@H]3C=N2)OCC4=CC(=CC(=C4)C#CCS(=O)(=O)O)COC5=C(C=C6C(=C5)N=C[C@@H]7CC(=C)CN7C6=O)OC

Computed by PubChem (NCBI)

Synonyms: orb3181679