Vitas-M small molecule compound

4-(1,3-benzodioxol-5-yl)-5-methyl-4H-1,2,4-triazole-3-thiol

Catalog ID
STK444605
SMILES Cc1nnc(n1c1ccc2c(c1)OCO2)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 C10H9N3O2S MW 235.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H9N3O2S/c1-6-11-12-10(16)13(6)7-2-3-8-9(4-7)15-5-14-8/h2-4H,5H2,1H3,(H,12,16)
InChIKey
BDNGMUDYJBIRJM-UHFFFAOYSA-N
Synonyms
669755-93-5
4(13benzodioxol5yl)3methyl1H124triazole5thione
4(13benzodioxol5yl)5methyl4H124triazole3thiol
4(2H13BENZODIOXOL5YL)5METHYL124TRIAZOLE3THIOL
4(2HBENZO(34D)13DIOXOLEN5YL)5METHYL124TRIAZOLE3THIOL
669755935
CC1=NNC(=S)N1C2=CC3=C(C=C2)OCO3
InChI=1SC10H9N3O2Sc16111210(16)13(6)72389(47)155148h24H5H21H3(H1216)
MFCD04057579
ZINC000006402041
ZINC06402041
ZINC6402041

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Available files

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