Vitas-M small molecule compound

(3-acetyl-6-methoxy-4-oxidoquinoxalin-2-yl)methyl thiophene-2-carboxylate

Catalog ID
STL235789
SMILES COc1ccc2c(c1)[n+]([O-])c(c(n2)COC(=O)c1cccs1)C(=O)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C17H14N2O5S MW 358.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N2O5S/c1-10(20)16-13(9-24-17(21)15-4-3-7-25-15)18-12-6-5-11(23-2)8-14(12)19(16)22/h3-8H,9H2,1-2H3
InChIKey
WTZRAYNBNGWAQA-UHFFFAOYSA-N
Synonyms
862116-95-8
(3acetyl6methoxy4oxidoquinoxalin2yl)methylthiophene2carboxylate
(3ACETYL6METHOXY4OXIDOQUINOXALIN4IUM2YL)METHYLTHIOPHENE2CARBOXYLATE
(3ETHANOYL6METHOXY4OXIDANIDYLQUINOXALIN4IUM2YL)METHYLTHIOPHENE2CARBOXYLATE
2acetyl7methoxy3(((thiophene2carbonyl)oxy)methyl)quinoxaline1oxide
2THIOPHENECARBOXYLICACID(3ACETYL6METHOXY4OXIDO2QUINOXALIN4IUMYL)METHYLESTER
862116958
CC(=O)C1=(N+)(C2=C(C=CC(=C2)OC)N=C1COC(=O)C3=CC=CS3)(O)
COc1ccc2c(c1)(n+)((O))c(c(n2)COC(=O)c1cccs1)C(=O)C
InChI=1SC17H14N2O5Sc110(20)1613(92417(21)154372515)18126511(232)814(12)19(16)22h38H9H212H3
MFCD05687121
THIOPHENE2CARBOXYLICACID(3ACETYL6METHOXY4OXIDOQUINOXALIN4IUM2YL)METHYLESTER
THIOPHENE2CARBOXYLICACID3ACETYL6METHOXY4OXYQUINOXALIN2YLMETHYLESTER
ZINC000005500497
ZINC05500497
ZINC5500497

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.