Vitas-M small molecule compound
5-{[(2-chloro-4-fluorobenzyl)sulfanyl]methyl}-4-(4-ethylphenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK445787
SMILES CCc1ccc(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 C18H17ClFN3S2 MW 393.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClFN3S2/c1-2-12-3-7-15(8-4-12)23-17(21-22-18(23)24)11-25-10-13-5-6-14(20)9-16(13)19/h3-9H,2,10-11H2,1H3,(H,22,24)InChIKey
JBUQBVZEVNXWCF-UHFFFAOYSA-NSynonyms
3((2chloro4fluorophenyl)methylsulfanylmethyl)4(4ethylphenyl)1H124triazole5thione
5(((2chloro4fluorobenzyl)sulfanyl)methyl)4(4ethylphenyl)4H124triazole3thiol
5(((2CHLORO4FLUOROPHENYL)METHYLTHIO)METHYL)4(4ETHYLPHENYL)124TRIAZOLE3THIOL
CCC1=CC=C(C=C1)N2C(=NNC2=S)CSCC3=C(C=C(C=C3)F)Cl
InChI=1SC18H17ClFN3S2c12123715(8412)2317(212218(23)24)112510135614(20)916(13)19h39H21011H21H3(H2224)
MFCD04058522
ZINC000006395156
ZINC06395156
ZINC6395156
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