Vitas-M small molecule compound

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

Catalog ID
STK231216
SMILES Cn1c(S)nnc1c1ccc2c(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 C10H9N3O2S MW 235.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H9N3O2S/c1-13-9(11-12-10(13)16)6-2-3-7-8(4-6)15-5-14-7/h2-4H,5H2,1H3,(H,12,16)
InChIKey
LZMYGUFGSQKVLM-UHFFFAOYSA-N
Synonyms
77803-44-2
3(13BENZODIOXOL5YL)4METHYL1H124TRIAZOLE5THIONE
5(13benzodioxol5yl)4methyl4H124triazole3thiol
5(2H13BENZODIOXOL5YL)4METHYL124TRIAZOLE3THIOL
5(2HBENZO(34D)13DIOXOLEN5YL)4METHYL124TRIAZOLE3THIOL
5BENZO(13)DIOXOL5YL4METHYL24DIHYDRO(124)TRIAZOLE3THIONE
5BENZO(13)DIOXOL5YL4METHYL4H
5BENZO(13)DIOXOL5YL4METHYL4H(124)TRIAZOLE3THIOL
77803442
CN1C(=NNC1=S)C2=CC3=C(C=C2)OCO3
InChI=1SC10H9N3O2Sc1139(111210(13)16)62378(46)155147h24H5H21H3(H1216)
MFCD07612658
ZINC000004736552
ZINC04736552
ZINC4736552

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Available files

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