Products 41906-86-9

CAS 41906-86-9 appears in our catalog under these names: Nitrocefin, 95%, Nitrocefin, Nitrocefin (>90%), Nitrocefin/ 98.22% (existing batch purity), Nitrocefin, 90.00%. Offered by: Combi-blocks, Chemat Brand, TRC, TargetMol, GLPBio. Available pack sizes: 100mg, on request, 10mg, 5mg, 1mg, 25mg, 50mg, 10mM (in 1ml dmso).

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

(6R,7R)-3-[(E)-2-(2,4-dinitrophenyl)ethenyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS 41906-86-9) is a chemical compound with the molecular formula C21H16N4O8S2 and a molecular weight of 516.5 g/mol. IUPAC name: (6R,7R)-3-[(E)-2-(2,4-dinitrophenyl)ethenyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. InChIKey: LHNIIDJCEODSHA-OQRUQETBSA-N.

Identity
Molecular formulaC21H16N4O8S2
Molecular weight516.5 g/mol
IUPAC name(6R,7R)-3-[(E)-2-(2,4-dinitrophenyl)ethenyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChIKeyLHNIIDJCEODSHA-OQRUQETBSA-N
SMILESC1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)O)/C=C/C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Computed by PubChem (NCBI)