Vitas-M small molecule compound

2-(furan-2-yl)-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1,3,4-oxadiazole

Catalog ID
STK208524
SMILES Cn1nc(nc1Sc1nnc(o1)c1ccco1)[N+](=O)[O-]

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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 C9H6N6O4S MW 294.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H6N6O4S/c1-14-8(10-7(13-14)15(16)17)20-9-12-11-6(19-9)5-3-2-4-18-5/h2-4H,1H3
InChIKey
JTKASYHWDVCJNT-UHFFFAOYSA-N
Synonyms

2(FURAN2YL)5((1METHYL3NITRO1H124TRIAZOL5YL)SULFANYL)134OXADIAZOLE
2(FURAN2YL)5((2METHYL5NITRO124TRIAZOL3YL)SULFANYL)134OXADIAZOLE
CN1C(=NC(=N1)(N+)(=O)(O))SC2=NN=C(O2)C3=CC=CO3
Cn1nc(nc1Sc1nnc(o1)c1ccco1)(N+)(=O)(O)
InChI=1SC9H6N6O4Sc1148(107(1314)15(16)17)20912116(199)5324185h24H1H3
MFCD04390369
ZINC000003655878
ZINC03655878
ZINC3655878

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Available files

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