Vitas-M small molecule compound

4-isothiocyanato-2,1,3-benzoxadiazole

Catalog ID
STK801434
SMILES S=C=Nc1cccc2c1non2

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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 C7H3N3OS MW 177.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C7H3N3OS/c12-4-8-5-2-1-3-6-7(5)10-11-9-6/h1-3H
InChIKey
YDXNRACDLIGSSC-UHFFFAOYSA-N
Synonyms
667429-11-0
4isothiocyanato213benzoxadiazole
4ISOTHIOCYANATOBENZO(C)(125)OXADIAZOLE
667429110
C1=CC2=NON=C2C(=C1)N=C=S
InChI=1SC7H3N3OSc1248521367(5)101196h13H
MFCD03869990
ZINC000006645514
ZINC06645514
ZINC6645514

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Available files

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