Vitas-M small molecule compound
5-[(benzylsulfanyl)methyl]-4-(2,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK440471
SMILES COc1cc(OC)ccc1n1c(CSCc2ccccc2)nnc1S
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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 C18H19N3O2S2 MW 373.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O2S2/c1-22-14-8-9-15(16(10-14)23-2)21-17(19-20-18(21)24)12-25-11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,20,24)InChIKey
NZDLGKKJUKGZNP-UHFFFAOYSA-NSynonyms
3(BENZYLSULFANYLMETHYL)4(24DIMETHOXYPHENYL)1H124TRIAZOLE5THIONE
4(24DIMETHOXYPHENYL)5((PHENYLMETHYLTHIO)METHYL)124TRIAZOLE3THIOL
5((benzylsulfanyl)methyl)4(24dimethoxyphenyl)4H124triazole3thiol
COC1=CC(=C(C=C1)N2C(=NNC2=S)CSCC3=CC=CC=C3)OC
InChI=1SC18H19N3O2S2c122148915(16(1014)232)2117(192018(21)24)122511136435713h310H1112H212H3(H2024)
MFCD03946265
ZINC000006388968
ZINC6388968
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