Vitas-M small molecule compound
4-(3,5-dimethoxyphenyl)-5-{[(2-methylbenzyl)sulfanyl]methyl}-4H-1,2,4-triazole-3-thiol
Catalog ID
STK445606
SMILES COc1cc(OC)cc(c1)n1c(CSCc2ccccc2C)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 C19H21N3O2S2 MW 387.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O2S2/c1-13-6-4-5-7-14(13)11-26-12-18-20-21-19(25)22(18)15-8-16(23-2)10-17(9-15)24-3/h4-10H,11-12H2,1-3H3,(H,21,25)InChIKey
KBXHUPWNWUEUMP-UHFFFAOYSA-NSynonyms
4(35dimethoxyphenyl)3((2methylphenyl)methylsulfanylmethyl)1H124triazole5thione
4(35dimethoxyphenyl)5(((2methylbenzyl)sulfanyl)methyl)4H124triazole3thiol
4(35DIMETHOXYPHENYL)5(((2METHYLPHENYL)METHYLTHIO)METHYL)124TRIAZOLE3THIOL
CC1=CC=CC=C1CSCC2=NNC(=S)N2C3=CC(=CC(=C3)OC)OC
InChI=1SC19H21N3O2S2c113645714(13)11261218202119(25)22(18)15816(232)1017(915)243h410H1112H213H3(H2125)
MFCD04057728
ZINC000006401671
ZINC06401671
ZINC6401671
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