Vitas-M small molecule compound

4-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]but-2-yn-1-ol

Catalog ID
STK273761
SMILES OCC#CCSc1nnc(n1c1ccccc1)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 C18H15N3OS MW 321.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3OS/c22-13-7-8-14-23-18-20-19-17(15-9-3-1-4-10-15)21(18)16-11-5-2-6-12-16/h1-6,9-12,22H,13-14H2
InChIKey
ABAPGMZPGNADFK-UHFFFAOYSA-N
Synonyms
893636-81-2
4((45diphenyl124triazol3yl)sulfanyl)but2yn1ol
4((45DIPHENYL4H124TRIAZOL3YL)SULFANYL)2BUTYN1OL
4((45diphenyl4H124triazol3yl)sulfanyl)but2yn1ol
4((45diphenyl4H124triazol3yl)thio)but2yn1ol
893636812
C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC#CCO
InChI=1SC18H15N3OSc221378142318201917(1593141015)21(18)16115261216h1691222H1314H2
MFCD08277569
ZINC000008715421
ZINC08715421
ZINC8715421

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Available files

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