Vitas-M small molecule compound

4-methyl-3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-5-(thiophen-2-yl)-4H-1,2,4-triazole

Catalog ID
STL407100
SMILES Cc1ccc(cc1)OCCSc1nnc(n1C)c1cccs1

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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 C16H17N3OS2 MW 331.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3OS2/c1-12-5-7-13(8-6-12)20-9-11-22-16-18-17-15(19(16)2)14-4-3-10-21-14/h3-8,10H,9,11H2,1-2H3
InChIKey
AIRTZSGOAQCOFR-UHFFFAOYSA-N
Synonyms

4methyl3((2(4methylphenoxy)ethyl)sulfanyl)5(thiophen2yl)4H124triazole
4METHYL3(2(4METHYLPHENOXY)ETHYLSULFANYL)5THIOPHEN2YL124TRIAZOLE
4METHYLPHENYL2((4METHYL5(2THIENYL)4H124TRIAZOL3YL)SULFANYL)ETHYLETHER
CC1=CC=C(C=C1)OCCSC2=NN=C(N2C)C3=CC=CS3
InChI=1SC16H17N3OS2c1125713(8612)209112216181715(19(16)2)1443102114h3810H911H212H3
MFCD05130176
ZINC000002126897
ZINC02126897
ZINC2126897

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Available files

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