Vitas-M small molecule compound
5-{[(2-chloro-4-fluorobenzyl)sulfanyl]methyl}-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK445823
SMILES COc1ccc(cc1n1c(CSCc2ccc(cc2Cl)F)nnc1S)OC
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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 C18H17ClFN3O2S2 MW 425.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClFN3O2S2/c1-24-13-5-6-16(25-2)15(8-13)23-17(21-22-18(23)26)10-27-9-11-3-4-12(20)7-14(11)19/h3-8H,9-10H2,1-2H3,(H,22,26)InChIKey
LDMIVUJGPGRIJB-UHFFFAOYSA-NSynonyms
3((2chloro4fluorophenyl)methylsulfanylmethyl)4(25dimethoxyphenyl)1H124triazole5thione
4(25DIMETHOXYPHENYL)5(((2CHLORO4FLUOROPHENYL)METHYLTHIO)METHYL)124TRIAZOLE3THIOL
5(((2chloro4fluorobenzyl)sulfanyl)methyl)4(25dimethoxyphenyl)4H124triazole3thiol
COC1=CC(=C(C=C1)OC)N2C(=NNC2=S)CSCC3=C(C=C(C=C3)F)Cl
InChI=1SC18H17ClFN3O2S2c124135616(252)15(813)2317(212218(23)26)10279113412(20)714(11)19h38H910H212H3(H2226)
MFCD04058491
ZINC000017094650
ZINC17094650
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