Vitas-M small molecule compound

4-(1,3-benzodioxol-5-yl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK779022
SMILES Sc1nnc(n1c1ccc2c(c1)OCO2)c1ccc2c(n1)cccc2

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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 C18H12N4O2S MW 348.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N4O2S/c25-18-21-20-17(14-7-5-11-3-1-2-4-13(11)19-14)22(18)12-6-8-15-16(9-12)24-10-23-15/h1-9H,10H2,(H,21,25)
InChIKey
GPVXFBBLIMUJAK-UHFFFAOYSA-N
Synonyms
704873-81-4
4(13benzodioxol5yl)5(quinolin2yl)4H124triazole3thiol
4(benzo(d)(13)dioxol5yl)5(quinolin2yl)4H124triazole3thiol
MFCD04166026
ZINC000005927645

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Available files

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