Vitas-M small molecule compound

5-{[(2-chloro-4-fluorobenzyl)sulfanyl]methyl}-4-[4-(propan-2-yl)phenyl]-4H-1,2,4-triazole-3-thiol

Catalog ID
STK445813
SMILES Fc1ccc(c(c1)Cl)CSCc1nnc(n1c1ccc(cc1)C(C)C)S

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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 C19H19ClFN3S2 MW 407.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19ClFN3S2/c1-12(2)13-4-7-16(8-5-13)24-18(22-23-19(24)25)11-26-10-14-3-6-15(21)9-17(14)20/h3-9,12H,10-11H2,1-2H3,(H,23,25)
InChIKey
HQHKEAOKQJGGGB-UHFFFAOYSA-N
Synonyms

3((2chloro4fluorophenyl)methylsulfanylmethyl)4(4propan2ylphenyl)1H124triazole5thione
5(((2chloro4fluorobenzyl)sulfanyl)methyl)4(4(propan2yl)phenyl)4H124triazole3thiol
5(((2CHLORO4FLUOROPHENYL)METHYLTHIO)METHYL)4(4(METHYLETHYL)PHENYL)124TRIAZOLE3THIOL
CC(C)C1=CC=C(C=C1)N2C(=NNC2=S)CSCC3=C(C=C(C=C3)F)Cl
InChI=1SC19H19ClFN3S2c112(2)134716(8513)2418(222319(24)25)112610143615(21)917(14)20h3912H1011H212H3(H2325)
MFCD04058203
ZINC000006387293
ZINC06387293
ZINC6387293

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Available files

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