Vitas-M small molecule compound

5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazole-2-thiol

Catalog ID
STK727180
SMILES Sc1nnc(o1)Cc1ccc2c(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 C10H8N2O3S MW 236.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H8N2O3S/c16-10-12-11-9(15-10)4-6-1-2-7-8(3-6)14-5-13-7/h1-3H,4-5H2,(H,12,16)
InChIKey
JFIWJXUSTARLNY-UHFFFAOYSA-N
Synonyms
14731-89-6
14731896
5(13benzodioxol5ylmethyl)134oxadiazole2thiol
5(13benzodioxol5ylmethyl)3H134oxadiazole2thione
5(2HBENZO(34D)13DIOXOLEN5YLMETHYL)134OXADIAZOLE2THIOL
5BENZO(13)DIOXOL5YLMETHYL(134)OXADIAZOLE2THIOL
C1OC2=C(O1)C=C(C=C2)CC3=NNC(=S)O3
InChI=1SC10H8N2O3Sc161012119(1510)461278(36)145137h13H45H2(H1216)
MFCD08753496
ZINC000008732360
ZINC08732360
ZINC8732360

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Available files

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