Vitas-M small molecule compound

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pentyl-4H-1,2,4-triazole-3-thiol

Catalog ID
STK447165
SMILES CCCCCc1nnc(n1c1ccc2c(c1)OCCO2)S

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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 C15H19N3O2S MW 305.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H19N3O2S/c1-2-3-4-5-14-16-17-15(21)18(14)11-6-7-12-13(10-11)20-9-8-19-12/h6-7,10H,2-5,8-9H2,1H3,(H,17,21)
InChIKey
ZAXHVZKWDUWWRV-UHFFFAOYSA-N
Synonyms

4(23dihydro14benzodioxin6yl)3pentyl1H124triazole5thione
4(23dihydro14benzodioxin6yl)5pentyl4H124triazole3thiol
4(2H3HBENZO(34E)14DIOXAN6YL)5PENTYL124TRIAZOLE3THIOL
CCCCCC1=NNC(=S)N1C2=CC3=C(C=C2)OCCO3
InChI=1SC15H19N3O2Sc1234514161715(21)18(14)11671213(1011)20981912h6710H2589H21H3(H1721)
MFCD04059606
ZINC000006389355
ZINC06389355
ZINC6389355

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Available files

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