Vitas-M small molecule compound

5-(furan-2-yl)-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK231200
SMILES CC(n1c(S)nnc1c1ccco1)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 C9H11N3OS MW 209.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H11N3OS/c1-6(2)12-8(10-11-9(12)14)7-4-3-5-13-7/h3-6H,1-2H3,(H,11,14)
InChIKey
AXBDLAPZXGIMID-UHFFFAOYSA-N
Synonyms
588682-89-7
3(FURAN2YL)4PROPAN2YL1H124TRIAZOLE5THIONE
5(2FURYL)4(METHYLETHYL)124TRIAZOLE3THIOL
5(2FURYL)4ISOPROPYL4H124TRIAZOLE3THIOL
5(furan2yl)4(propan2yl)4H124triazole3thiol
5(FURAN2YL)4ISOPROPYL124TRIAZOLE3THIOL
588682897
CC(C)N1C(=NNC1=S)C2=CC=CO2
InChI=1SC9H11N3OSc16(2)128(10119(12)14)7435137h36H12H3(H1114)
MFCD03423463
ZINC000006633954
ZINC06633954
ZINC6633954

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Available files

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