Vitas-M small molecule compound
5-(2-chloro-6-fluorobenzyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK444061
SMILES COc1ccc(cc1OC)CCn1c(S)nnc1Cc1c(F)cccc1Cl
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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 C19H19ClFN3O2S MW 407.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19ClFN3O2S/c1-25-16-7-6-12(10-17(16)26-2)8-9-24-18(22-23-19(24)27)11-13-14(20)4-3-5-15(13)21/h3-7,10H,8-9,11H2,1-2H3,(H,23,27)InChIKey
YNEAGEFBRORKDN-UHFFFAOYSA-NSynonyms
3((2chloro6fluorophenyl)methyl)4(2(34dimethoxyphenyl)ethyl)1H124triazole5thione
4(2(34DIMETHOXYPHENYL)ETHYL)5((6CHLORO2FLUOROPHENYL)METHYL)124TRIAZOLE3THIOL
5(2chloro6fluorobenzyl)4(2(34dimethoxyphenyl)ethyl)4H124triazole3thiol
COC1=C(C=C(C=C1)CCN2C(=NNC2=S)CC3=C(C=CC=C3Cl)F)OC
InChI=1SC19H19ClFN3O2Sc125167612(1017(16)262)892418(222319(24)27)111314(20)43515(13)21h3710H8911H212H3(H2327)
MFCD04055256
ZINC000006490745
ZINC06490745
ZINC6490745
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