Vitas-M small molecule compound

5-(2-hydroxyoctan-4-yl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STK562329
SMILES CCCCC(c1n[nH]c(=S)n1CC=C)CC(O)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 C13H23N3OS MW 269.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H23N3OS/c1-4-6-7-11(9-10(3)17)12-14-15-13(18)16(12)8-5-2/h5,10-11,17H,2,4,6-9H2,1,3H3,(H,15,18)
InChIKey
QMSQBJMZVDKFJC-UHFFFAOYSA-N
Synonyms
CCCCC(c1n(nH)c(=S)n1CC=C)CC(O)C
Registry IDs
MFCD03801499
ZINC000002285340
ZINC000002285343

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Available files

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