Vitas-M small molecule compound

5-(4-butoxyphenyl)-1,3,4-oxadiazole-2-thiol

Catalog ID
STK471676
SMILES CCCCOc1ccc(cc1)c1nnc(o1)S

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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 C12H14N2O2S MW 250.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N2O2S/c1-2-3-8-15-10-6-4-9(5-7-10)11-13-14-12(17)16-11/h4-7H,2-3,8H2,1H3,(H,14,17)
InChIKey
XCYBNKPKFXAFSV-UHFFFAOYSA-N
Synonyms

5(4butoxyphenyl)134oxadiazole2thiol
5(4butoxyphenyl)3H134oxadiazole2thione
CCCCOC1=CC=C(C=C1)C2=NNC(=S)O2
InChI=1SC12H14N2O2Sc12381510649(5710)11131412(17)1611h47H238H21H3(H1417)
MFCD07625819
ZINC000016973894
ZINC16973894

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Available files

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