Vitas-M small molecule compound

3-{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazole

Catalog ID
STK829708
SMILES Clc1cc2OCOc2cc1CSc1nncn1C

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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 C11H10ClN3O2S MW 283.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H10ClN3O2S/c1-15-5-13-14-11(15)18-4-7-2-9-10(3-8(7)12)17-6-16-9/h2-3,5H,4,6H2,1H3
InChIKey
GWEAWKWDMCDDCM-UHFFFAOYSA-N
Synonyms
1207606-63-0
1207606630
3(((6chloro13benzodioxol5yl)methyl)sulfanyl)4methyl4H124triazole
3((6CHLORO(2HBENZO(D)13DIOXOLAN5YL))METHYLTHIO)4METHYL124TRIAZOLE
3((6chloro13benzodioxol5yl)methylsulfanyl)4methyl124triazole
CN1C=NN=C1SCC2=CC3=C(C=C2Cl)OCO3
InChI=1SC11H10ClN3O2Sc1155131411(15)18472910(38(7)12)176169h235H46H21H3
MFCD18169675
ZINC000039393061
ZINC39393061

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Available files

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