Vitas-M small molecule compound
5-{[(2-chloro-4-fluorobenzyl)sulfanyl]methyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK445802
SMILES CCOc1ccc(cc1)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 C18H17ClFN3OS2 MW 409.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClFN3OS2/c1-2-24-15-7-5-14(6-8-15)23-17(21-22-18(23)25)11-26-10-12-3-4-13(20)9-16(12)19/h3-9H,2,10-11H2,1H3,(H,22,25)InChIKey
HVYKCRDAFRXDEP-UHFFFAOYSA-NSynonyms
3((2chloro4fluorophenyl)methylsulfanylmethyl)4(4ethoxyphenyl)1H124triazole5thione
5(((2chloro4fluorobenzyl)sulfanyl)methyl)4(4ethoxyphenyl)4H124triazole3thiol
5(((2CHLORO4FLUOROPHENYL)METHYLTHIO)METHYL)4(4ETHOXYPHENYL)124TRIAZOLE3THIOL
CCOC1=CC=C(C=C1)N2C(=NNC2=S)CSCC3=C(C=C(C=C3)F)Cl
InChI=1SC18H17ClFN3OS2c1224157514(6815)2317(212218(23)25)112610123413(20)916(12)19h39H21011H21H3(H2225)
MFCD04058368
ZINC000006393673
ZINC06393673
ZINC6393673
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