Vitas-M small molecule compound

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

Catalog ID
STK850172
SMILES CCCCOCC(CCc1n[nH]c(=S)n1CC=C)O

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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 C13H23N3O2S MW 285.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H23N3O2S/c1-3-5-9-18-10-11(17)6-7-12-14-15-13(19)16(12)8-4-2/h4,11,17H,2-3,5-10H2,1H3,(H,15,19)
InChIKey
JYRSKCRTDGATLV-UHFFFAOYSA-N
Synonyms
328012-87-9
5(4butoxy3hydroxybutyl)4(prop2en1yl)24dihydro3H124triazole3thione
CCCCOCC(CCC1=NNC(=S)N1CC=C)O
CCCCOCC(CCc1n(nH)c(=S)n1CC=C)O
Registry IDs
MFCD07208509

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Available files

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