Vitas-M small molecule compound

3-(benzylsulfanyl)-4-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-4H-1,2,4-triazole

Catalog ID
STK279380
SMILES Cn1c(SCc2ccccc2)nnc1c1ccc2c(c1)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 C20H21N3S MW 335.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3S/c1-23-19(18-12-11-16-9-5-6-10-17(16)13-18)21-22-20(23)24-14-15-7-3-2-4-8-15/h2-4,7-8,11-13H,5-6,9-10,14H2,1H3
InChIKey
RUVGYNSEWPPVPH-UHFFFAOYSA-N
Synonyms

3(benzylsulfanyl)4methyl5(5678tetrahydronaphthalen2yl)4H124triazole
3benzylsulfanyl4methyl5(5678tetrahydronaphthalen2yl)124triazole
CN1C(=NN=C1SCC2=CC=CC=C2)C3=CC4=C(CCCC4)C=C3
InChI=1SC20H21N3Sc12319(181211169561017(16)1318)212220(23)2414157324815h24781113H5691014H21H3
MFCD09269818
ZINC000009193283
ZINC09193283
ZINC9193283

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Available files

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