Vitas-M small molecule compound

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

Catalog ID
STK231217
SMILES CCn1c(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 C11H11N3O2S MW 249.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H11N3O2S/c1-2-14-10(12-13-11(14)17)7-3-4-8-9(5-7)16-6-15-8/h3-5H,2,6H2,1H3,(H,13,17)
InChIKey
KZMHWIQZJUXNDA-UHFFFAOYSA-N
Synonyms
77803-45-3
3(13BENZODIOXOL5YL)4ETHYL1H124TRIAZOLE5THIONE
5(13BENZODIOXOL5YL)4ETHYL4H124TRIAZOL3YLHYDROSULFIDE
5(13benzodioxol5yl)4ethyl4H124triazole3thiol
5(2H13BENZODIOXOL5YL)4ETHYL124TRIAZOLE3THIOL
5BENZO(13)DIOXOL5YL4ETHYL4H
5BENZO(13)DIOXOL5YL4ETHYL4H(124)TRIAZOLE3THIOL
77803453
CCN1C(=NNC1=S)C2=CC3=C(C=C2)OCO3
InChI=1SC11H11N3O2Sc121410(121311(14)17)73489(57)166158h35H26H21H3(H1317)
MFCD03467442
ZINC000006520008
ZINC06520008
ZINC6520008

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Available files

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