Vitas-M small molecule compound

5-butyl-5-ethyl-2-phenyl-1,2,4-triazolidine-3-thione

Catalog ID
STK093927
SMILES CCCCC1(CC)NC(=S)N(N1)c1ccccc1

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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 C14H21N3S MW 263.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H21N3S/c1-3-5-11-14(4-2)15-13(18)17(16-14)12-9-7-6-8-10-12/h6-10,16H,3-5,11H2,1-2H3,(H,15,18)
InChIKey
AOXFDODDALRNGG-UHFFFAOYSA-N
Synonyms
370851-37-9
(5R)5BUTYL5ETHYL2PHENYL124TRIAZOLIDINE3THIONE
(5S)5BUTYL5ETHYL2PHENYL124TRIAZOLIDINE3THIONE
370851379
5BUTYL5ETHYL2PHENYL124TRIAZOLIDINE3THIONE
5BUTYL5ETHYL2PHENYL25DIHYDRO1H124TRIAZOLE3THIOL
CCCCC1(CC)NC(=S)N(N1)c1ccccc1
CCCCC1(NC(=S)N(N1)C2=CC=CC=C2)CC
InChI=1SC14H21N3Sc1351114(42)1513(18)17(1614)1297681012h61016H3511H212H3(H1518)
MFCD02815327
STK093927

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Available files

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