Vitas-M small molecule compound

3-{[4-(pentyloxy)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine

Catalog ID
STK830971
SMILES CCCCCOc1ccc(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 C14H20N4OS MW 292.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H20N4OS/c1-2-3-4-9-19-13-7-5-12(6-8-13)10-20-14-17-16-11-18(14)15/h5-8,11H,2-4,9-10,15H2,1H3
InChIKey
CEXQBESAFIJKII-UHFFFAOYSA-N
Synonyms
57736-73-9
3((4(pentyloxy)benzyl)sulfanyl)4H124triazol4amine
3((4(pentyloxy)benzyl)thio)4H124triazol4amine
3((4PENTOXYPHENYL)METHYLSULFANYL)124TRIAZOL4AMINE
3(4PENTYLOXYBENZYLSULFANYL)(124)TRIAZOL4YLAMINE
57736739
CCCCCOC1=CC=C(C=C1)CSC2=NN=CN2N
InChI=1SC14H20N4OSc1234919137512(6813)10201417161118(14)15h5811H2491015H21H3
MFCD01048996
ZINC000002314564
ZINC02314564
ZINC2314564

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Available files

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