Vitas-M small molecule compound
5-{[(2-chloro-4-fluorobenzyl)sulfanyl]methyl}-4-(2-methoxy-5-methylphenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK445830
SMILES COc1ccc(cc1n1c(CSCc2ccc(cc2Cl)F)nnc1S)C
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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/c1-11-3-6-16(24-2)15(7-11)23-17(21-22-18(23)25)10-26-9-12-4-5-13(20)8-14(12)19/h3-8H,9-10H2,1-2H3,(H,22,25)InChIKey
QDGNTQHFSGXYBH-UHFFFAOYSA-NSynonyms
3((2chloro4fluorophenyl)methylsulfanylmethyl)4(2methoxy5methylphenyl)1H124triazole5thione
5(((2chloro4fluorobenzyl)sulfanyl)methyl)4(2methoxy5methylphenyl)4H124triazole3thiol
5(((2CHLORO4FLUOROPHENYL)METHYLTHIO)METHYL)4(2METHOXY5METHYLPHENYL)124TRIAZOLE3THIOL
CC1=CC(=C(C=C1)OC)N2C(=NNC2=S)CSCC3=C(C=C(C=C3)F)Cl
InChI=1SC18H17ClFN3OS2c1113616(242)15(711)2317(212218(23)25)10269124513(20)814(12)19h38H910H212H3(H2225)
MFCD04058354
ZINC000006400543
ZINC06400543
ZINC6400543
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