Vitas-M small molecule compound

5-(5-bromofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK450003
SMILES Sc1nnc(n1CC=C)c1ccc(o1)Br

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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 C9H8BrN3OS MW 286.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H8BrN3OS/c1-2-5-13-8(11-12-9(13)15)6-3-4-7(10)14-6/h2-4H,1,5H2,(H,12,15)
InChIKey
AUSIFCPQANTVLZ-UHFFFAOYSA-N
Synonyms
522597-53-1
3(5BROMOFURAN2YL)4PROP2ENYL1H124TRIAZOLE5THIONE
4ALLYL5(5BROMO2FURYL)4H124TRIAZOLE3THIOL
5(5BROMO(2FURYL))4PROP2ENYL124TRIAZOLE3THIOL
5(5BROMOFURAN2YL)4(PROP2EN1YL)124TRIAZOLE3THIOL
5(5bromofuran2yl)4(prop2en1yl)4H124triazole3thiol
522597531
C=CCN1C(=NNC1=S)C2=CC=C(O2)Br
InChI=1SC9H8BrN3OSc125138(11129(13)15)6347(10)146h24H15H2(H1215)
MFCD03423466
ZINC000006492926
ZINC06492926
ZINC6492926

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Available files

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