Vitas-M small molecule compound

[1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-5-yl]methyl thiocyanate

Catalog ID
STK785973
SMILES N#CSCc1cnnn1c1nonc1N

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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 C6H5N7OS MW 223.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C6H5N7OS/c7-3-15-2-4-1-9-12-13(4)6-5(8)10-14-11-6/h1H,2H2,(H2,8,10)
InChIKey
NSYAYMHPLVVBEM-UHFFFAOYSA-N
Synonyms
890094-26-5
((1(4AMINO(125OXADIAZOL3YL))(123TRIAZOL5YL))METHYL)THIOCARBONITRILE
(1(4amino125oxadiazol3yl)1H123triazol5yl)methylthiocyanate
(3(4AMINO125OXADIAZOL3YL)TRIAZOL4YL)METHYLTHIOCYANATE
890094265
C1=C(N(N=N1)C2=NON=C2N)CSC#N
InChI=1SC6H5N7OSc731524191213(4)65(8)1014116h1H2H2(H2810)
MFCD07801058
THIOCYANICACID(1(4AMINO125OXADIAZOL3YL)1H123TRIAZOL5YL)METHYLESTER
ZINC000006657980
ZINC06657980
ZINC6657980

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Available files

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