Vitas-M small molecule compound

3-[(4-butoxybenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine

Catalog ID
STK805383
SMILES CCCCOc1ccc(cc1)CSc1nncn1N

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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 C13H18N4OS MW 278.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18N4OS/c1-2-3-8-18-12-6-4-11(5-7-12)9-19-13-16-15-10-17(13)14/h4-7,10H,2-3,8-9,14H2,1H3
InChIKey
LXRYRBCIOJKJKJ-UHFFFAOYSA-N
Synonyms
57736-71-7
3((4butoxybenzyl)sulfanyl)4H124triazol4amine
3((4butoxybenzyl)thio)4H124triazol4amine
3((4BUTOXYPHENYL)METHYLSULFANYL)124TRIAZOL4AMINE
3(4BUTOXYBENZYLSULFANYL)(124)TRIAZOL4YLAMINE
57736717
CCCCOC1=CC=C(C=C1)CSC2=NN=CN2N
InChI=1SC13H18N4OSc123818126411(5712)9191316151017(13)14h4710H238914H21H3
MFCD00433616
ZINC000002314423
ZINC02314423
ZINC2314423

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Available files

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