Vitas-M small molecule compound
5-{[(2-chloro-4-fluorobenzyl)sulfanyl]methyl}-4-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK445807
SMILES COc1cccc(c1)n1c(CSCc2ccc(cc2Cl)F)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 C17H15ClFN3OS2 MW 395.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15ClFN3OS2/c1-23-14-4-2-3-13(8-14)22-16(20-21-17(22)24)10-25-9-11-5-6-12(19)7-15(11)18/h2-8H,9-10H2,1H3,(H,21,24)InChIKey
ZTGFRLIWNOFPBT-UHFFFAOYSA-NSynonyms
3((2chloro4fluorophenyl)methylsulfanylmethyl)4(3methoxyphenyl)1H124triazole5thione
5(((2chloro4fluorobenzyl)sulfanyl)methyl)4(3methoxyphenyl)4H124triazole3thiol
5(((2CHLORO4FLUOROPHENYL)METHYLTHIO)METHYL)4(3METHOXYPHENYL)124TRIAZOLE3THIOL
COC1=CC=CC(=C1)N2C(=NNC2=S)CSCC3=C(C=C(C=C3)F)Cl
InChI=1SC17H15ClFN3OS2c1231442313(814)2216(202117(22)24)10259115612(19)715(11)18h28H910H21H3(H2124)
MFCD04058389
ZINC000006398692
ZINC06398692
ZINC6398692
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