Vitas-M small molecule compound

5-(4-tert-butylphenyl)-4-({(E)-[4-(pentyloxy)phenyl]methylidene}amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STL043959
SMILES CCCCCOc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccc(cc1)C(C)(C)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 C24H30N4OS MW 422.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N4OS/c1-5-6-7-16-29-21-14-8-18(9-15-21)17-25-28-22(26-27-23(28)30)19-10-12-20(13-11-19)24(2,3)4/h8-15,17H,5-7,16H2,1-4H3,(H,27,30)/b25-17+
InChIKey
XVLJZDLCUULIPN-KOEQRZSOSA-N
Synonyms
613230-86-7
613230867
CCCCCOc1ccc(cc1)C=Nn1c(=S)(nH)nc1c1ccc(cc1)C(C)(C)C
MFCD03808934
ZINC000002238154

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Available files

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