Vitas-M small molecule compound

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

Catalog ID
STK891287
SMILES CCCCCn1c(S)nnc1C1COc2c(O1)cccc2

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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/c1-2-3-6-9-18-14(16-17-15(18)21)13-10-19-11-7-4-5-8-12(11)20-13/h4-5,7-8,13H,2-3,6,9-10H2,1H3,(H,17,21)
InChIKey
QCRSGTGPCDSISO-UHFFFAOYSA-N
Synonyms
951895-22-0
3(23dihydro14benzodioxin3yl)4pentyl1H124triazole5thione
5(23DIHYDRO14BENZODIOXIN2YL)4PENTYL4H124TRIAZOL3YLHYDROSULFIDE
5(23dihydro14benzodioxin2yl)4pentyl4H124triazole3thiol
951895220
CCCCCN1C(=NNC1=S)C2COC3=CC=CC=C3O2
InChI=1SC15H19N3O2Sc123691814(161715(18)21)13101911745812(11)2013h457813H236910H21H3(H1721)
MFCD09983443
ZINC000011692634
ZINC000011692635

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Available files

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