Vitas-M small molecule compound

4-(3,4-dimethoxyphenyl)-5-{[(4-fluorobenzyl)sulfanyl]methyl}-4H-1,2,4-triazole-3-thiol

Catalog ID
STK446289
SMILES COc1cc(ccc1OC)n1c(CSCc2ccc(cc2)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 C18H18FN3O2S2 MW 391.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18FN3O2S2/c1-23-15-8-7-14(9-16(15)24-2)22-17(20-21-18(22)25)11-26-10-12-3-5-13(19)6-4-12/h3-9H,10-11H2,1-2H3,(H,21,25)
InChIKey
ZHKCBEZORVORNG-UHFFFAOYSA-N
Synonyms

4(34dimethoxyphenyl)3((4fluorophenyl)methylsulfanylmethyl)1H124triazole5thione
4(34dimethoxyphenyl)5(((4fluorobenzyl)sulfanyl)methyl)4H124triazole3thiol
4(34DIMETHOXYPHENYL)5(((4FLUOROPHENYL)METHYLTHIO)METHYL)124TRIAZOLE3THIOL
COC1=C(C=C(C=C1)N2C(=NNC2=S)CSCC3=CC=C(C=C3)F)OC
InChI=1SC18H18FN3O2S2c123158714(916(15)242)2217(202118(22)25)112610123513(19)6412h39H1011H212H3(H2125)
MFCD04058650
ZINC000006398590
ZINC06398590
ZINC6398590

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Available files

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