Vitas-M small molecule compound
4-[4-(butan-2-yl)phenyl]-5-{[(2-chloro-4-fluorobenzyl)sulfanyl]methyl}-4H-1,2,4-triazole-3-thiol
Catalog ID
STK445815
SMILES CCC(c1ccc(cc1)n1c(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 C20H21ClFN3S2 MW 421.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClFN3S2/c1-3-13(2)14-5-8-17(9-6-14)25-19(23-24-20(25)26)12-27-11-15-4-7-16(22)10-18(15)21/h4-10,13H,3,11-12H2,1-2H3,(H,24,26)InChIKey
MZQZLEQJFYOICB-UHFFFAOYSA-NSynonyms
4(4(butan2yl)phenyl)5(((2chloro4fluorobenzyl)sulfanyl)methyl)4H124triazole3thiol
4(4butan2ylphenyl)3((2chloro4fluorophenyl)methylsulfanylmethyl)1H124triazole5thione
5(((2CHLORO4FLUOROPHENYL)METHYLTHIO)METHYL)4(4(METHYLPROPYL)PHENYL)124TRIAZOLE3THIOL
CCC(C)C1=CC=C(C=C1)N2C(=NNC2=S)CSCC3=C(C=C(C=C3)F)Cl
InChI=1SC20H21ClFN3S2c1313(2)145817(9614)2519(232420(25)26)122711154716(22)1018(15)21h41013H31112H212H3(H2426)
MFCD04058276
ZINC000017092869
ZINC000017092870
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