Vitas-M small molecule compound

5-ethyl-2-(3-methylbutyl)-5-propyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol

Catalog ID
STL039922
SMILES CCCC1(CC)N=C(N(N1)CCC(C)C)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 C12H25N3S MW 243.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H25N3S/c1-5-8-12(6-2)13-11(16)15(14-12)9-7-10(3)4/h10,14H,5-9H2,1-4H3,(H,13,16)
InChIKey
ALHLILIAWJAVHP-UHFFFAOYSA-N
Synonyms

5ethyl2(3methylbutyl)5propyl25dihydro1H124triazole3thiol
CCCC1(NC(=S)N(N1)CCC(C)C)CC
InChI=1SC12H25N3Sc15812(62)1311(16)15(1412)9710(3)4h1014H59H214H3(H1316)
MFCD03802701

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Available files

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