Vitas-M small molecule compound

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

Catalog ID
STK177507
SMILES OCC#CCSc1ncnn1c1ccccc1

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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 C12H11N3OS MW 245.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N3OS/c16-8-4-5-9-17-12-13-10-14-15(12)11-6-2-1-3-7-11/h1-3,6-7,10,16H,8-9H2
InChIKey
OFGRJGFEOPESTI-UHFFFAOYSA-N
Synonyms
669716-38-5
4((1PHENYL1H124TRIAZOL5YL)SULFANYL)2BUTYN1OL
4((1PHENYL1H124TRIAZOL5YL)SULFANYL)BUT2YN1OL
4((1PHENYL1H124TRIAZOL5YL)THIO)BUT2YN1OL
4((2PHENYL124TRIAZOL3YL)SULFANYL)BUT2YN1OL
669716385
C1=CC=C(C=C1)N2C(=NC=N2)SCC#CCO
InChI=1SC12H11N3OSc168459171213101415(12)116213711h13671016H89H2
MFCD04226315
ZINC000004704614
ZINC04704614
ZINC4704614

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Available files

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