Vitas-M small molecule compound

3-{[4-(3-methylbutoxy)benzyl]sulfanyl}-5-propyl-4H-1,2,4-triazol-4-amine

Catalog ID
STK842845
SMILES CCCc1nnc(n1N)SCc1ccc(cc1)OCCC(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 C17H26N4OS MW 334.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H26N4OS/c1-4-5-16-19-20-17(21(16)18)23-12-14-6-8-15(9-7-14)22-11-10-13(2)3/h6-9,13H,4-5,10-12,18H2,1-3H3
InChIKey
PZDXHIALUIKHFX-UHFFFAOYSA-N
Synonyms
692260-83-6
3((4(3methylbutoxy)benzyl)sulfanyl)5propyl4H124triazol4amine
3((4(3METHYLBUTOXY)PHENYL)METHYLSULFANYL)5PROPYL124TRIAZOL4AMINE
3((4(isopentyloxy)benzyl)thio)5propyl4H124triazol4amine
692260836
CCCC1=NN=C(N1N)SCC2=CC=C(C=C2)OCCC(C)C
InChI=1SC17H26N4OSc14516192017(21(16)18)2312146815(9714)22111013(2)3h6913H45101218H213H3
MFCD03665650
ZINC000000463023
ZINC00463023
ZINC463023

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Available files

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