Vitas-M small molecule compound
5-{[(2-bromobenzyl)sulfanyl]methyl}-4-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK448350
SMILES COc1cc(ccc1OC)n1c(CSCc2ccccc2Br)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 C18H18BrN3O2S2 MW 452.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18BrN3O2S2/c1-23-15-8-7-13(9-16(15)24-2)22-17(20-21-18(22)25)11-26-10-12-5-3-4-6-14(12)19/h3-9H,10-11H2,1-2H3,(H,21,25)InChIKey
KIYXRHOTJIDASL-UHFFFAOYSA-NSynonyms
3((2bromophenyl)methylsulfanylmethyl)4(34dimethoxyphenyl)1H124triazole5thione
4(34DIMETHOXYPHENYL)5(((2BROMOPHENYL)METHYLTHIO)METHYL)124TRIAZOLE3THIOL
5(((2bromobenzyl)sulfanyl)methyl)4(34dimethoxyphenyl)4H124triazole3thiol
COC1=C(C=C(C=C1)N2C(=NNC2=S)CSCC3=CC=CC=C3Br)OC
InChI=1SC18H18BrN3O2S2c123158713(916(15)242)2217(202118(22)25)11261012534614(12)19h39H1011H212H3(H2125)
MFCD04140083
ZINC000020259296
ZINC20259296
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