Vitas-M small molecule compound

N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-[3-(4-fluoro-2-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]-N-methylacetamide

Catalog ID
STK937835
SMILES COc1cc(F)ccc1c1ccc(=O)n(n1)CC(=O)N(C1CCS(=O)(=O)C1)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 C18H20FN3O5S MW 409.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20FN3O5S/c1-21(13-7-8-28(25,26)11-13)18(24)10-22-17(23)6-5-15(20-22)14-4-3-12(19)9-16(14)27-2/h3-6,9,13H,7-8,10-11H2,1-2H3
InChIKey
NPBLRDYOWZCBOW-UHFFFAOYSA-N
Synonyms
1219586-61-4
1219586614
CN(C1CCS(=O)(=O)C1)C(=O)CN2C(=O)C=CC(=N2)C3=C(C=C(C=C3)F)OC
InChI=1SC18H20FN3O5Sc121(137828(2526)1113)18(24)102217(23)6515(2022)144312(19)916(14)272h36913H781011H212H3
MFCD16626484
N(11dioxidotetrahydrothiophen3yl)2(3(4fluoro2methoxyphenyl)6oxopyridazin1(6H)yl)Nmethylacetamide
N(11dioxothiolan3yl)2(3(4fluoro2methoxyphenyl)6oxopyridazin1yl)Nmethylacetamide
ZINC000040286728
ZINC000040286729

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Available files

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