Vitas-M small molecule compound

4-benzyl-5-(5-methyl-1,2-oxazol-3-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK334230
SMILES Cc1onc(c1)c1nnc(n1Cc1ccccc1)S

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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 C13H12N4OS MW 272.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N4OS/c1-9-7-11(16-18-9)12-14-15-13(19)17(12)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,19)
InChIKey
FPGWBAWDHHGONL-UHFFFAOYSA-N
Synonyms

4BENZYL3(5METHYL12OXAZOL3YL)1H124TRIAZOLE5THIONE
4benzyl5(5methyl12oxazol3yl)4H124triazole3thiol
4BENZYL5(5METHYL3ISOXAZOLYL)4H124TRIAZOL3YLHYDROSULFIDE
5(5METHYLISOXAZOL3YL)4BENZYL124TRIAZOLE3THIOL
CC1=CC(=NO1)C2=NNC(=S)N2CC3=CC=CC=C3
InChI=1SC13H12N4OSc19711(16189)12141513(19)17(12)8105324610h27H8H21H3(H1519)
MFCD03468080
ZINC000006556611
ZINC6556611

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Available files

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