Vitas-M small molecule compound

3-(benzylsulfanyl)-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole

Catalog ID
STK826102
SMILES Cn1c(SCc2ccccc2)nnc1c1cccs1

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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 C14H13N3S2 MW 287.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13N3S2/c1-17-13(12-8-5-9-18-12)15-16-14(17)19-10-11-6-3-2-4-7-11/h2-9H,10H2,1H3
InChIKey
ZCDJJCRHQLWCOY-UHFFFAOYSA-N
Synonyms
586995-86-0
3(benzylsulfanyl)4methyl5(thiophen2yl)4H124triazole
3(benzylthio)4methyl5(thiophen2yl)4H124triazole
3BENZYLSULFANYL4METHYL5THIOPHEN2YL124TRIAZOLE
4METHYL3(PHENYLMETHYLTHIO)5(2THIENYL)124TRIAZOLE
586995860
CN1C(=NN=C1SCC2=CC=CC=C2)C3=CC=CS3
InChI=1SC14H13N3S2c11713(128591812)151614(17)1910116324711h29H10H21H3
MFCD04033066
ZINC000000533252
ZINC00533252
ZINC533252

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Available files

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