Vitas-M small molecule compound

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxybenzyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STK851255
SMILES COc1ccc(cc1)Cc1n[nH]c(=S)n1c1ccc2c(c1)OCCO2

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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 C18H17N3O3S MW 355.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O3S/c1-22-14-5-2-12(3-6-14)10-17-19-20-18(25)21(17)13-4-7-15-16(11-13)24-9-8-23-15/h2-7,11H,8-10H2,1H3,(H,20,25)
InChIKey
PSXPUCVOQRHTQS-UHFFFAOYSA-N
Synonyms
724759-44-8
4(23dihydro14benzodioxin6yl)5(4methoxybenzyl)24dihydro3H124triazole3thione
724759448
COc1ccc(cc1)Cc1n(nH)c(=S)n1c1ccc2c(c1)OCCO2
MFCD07207582

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Available files

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