Vitas-M small molecule compound

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

Catalog ID
STK445834
SMILES Fc1ccc(c(c1)Cl)CSCc1nnc(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 C17H13ClFN3O2S2 MW 409.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClFN3O2S2/c18-13-5-11(19)2-1-10(13)7-26-8-16-20-21-17(25)22(16)12-3-4-14-15(6-12)24-9-23-14/h1-6H,7-9H2,(H,21,25)
InChIKey
KCKRFQFULQEQKG-UHFFFAOYSA-N
Synonyms

4(13benzodioxol5yl)3((2chloro4fluorophenyl)methylsulfanylmethyl)1H124triazole5thione
4(13benzodioxol5yl)5(((2chloro4fluorobenzyl)sulfanyl)methyl)4H124triazole3thiol
4(2HBENZO(34D)13DIOXOLAN5YL)5(((2CHLORO4FLUOROPHENYL)METHYLTHIO)METHYL)124TRIAZOLE3THIOL
C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)CSCC4=C(C=C(C=C4)F)Cl
InChI=1SC17H13ClFN3O2S2c1813511(19)2110(13)726816202117(25)22(16)12341415(612)2492314h16H79H2(H2125)
MFCD04058473
ZINC000006402656
ZINC06402656
ZINC6402656

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Available files

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