Vitas-M small molecule compound

4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STK630491
SMILES Cc1n[nH]c(=S)n1Cc1ccc2c(c1)OCO2

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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 C11H11N3O2S MW 249.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H11N3O2S/c1-7-12-13-11(17)14(7)5-8-2-3-9-10(4-8)16-6-15-9/h2-4H,5-6H2,1H3,(H,13,17)
InChIKey
BCHBHPWUYUUUFK-UHFFFAOYSA-N
Synonyms
951937-40-9
951937409
Cc1n(nH)c(=S)n1Cc1ccc2c(c1)OCO2
MFCD18159401
ZINC000013726947

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Available files

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