Vitas-M small molecule compound

4-(1,3-benzodioxol-5-yl)-5-(tetrahydrofuran-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STK634045
SMILES S=c1[nH]nc(n1c1ccc2c(c1)OCO2)C1CCCO1

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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 C13H13N3O3S MW 291.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O3S/c20-13-15-14-12(10-2-1-5-17-10)16(13)8-3-4-9-11(6-8)19-7-18-9/h3-4,6,10H,1-2,5,7H2,(H,15,20)
InChIKey
XGUGEHPRGFZBLD-UHFFFAOYSA-N
Synonyms
1040698-83-6
1040698836
4(13benzodioxol5yl)3(oxolan2yl)1H124triazole5thione
4(13benzodioxol5yl)5(tetrahydrofuran2yl)24dihydro3H124triazole3thione
4(2H13BENZODIOXOL5YL)5(OXOLAN2YL)124TRIAZOLE3THIOL
C1CC(OC1)C2=NNC(=S)N2C3=CC4=C(C=C3)OCO4
InChI=1SC13H13N3O3Sc2013151412(102151710)16(13)834911(68)197189h34610H1257H2(H1520)
MFCD18160282
ZINC000020730188
ZINC000020730192

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Available files

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