Vitas-M small molecule compound
4-(4-butylphenyl)-5-{[(2-chloro-4-fluorobenzyl)sulfanyl]methyl}-4H-1,2,4-triazole-3-thiol
Catalog ID
STK445808
SMILES CCCCc1ccc(cc1)n1c(CSCc2ccc(cc2Cl)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 C20H21ClFN3S2 MW 421.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClFN3S2/c1-2-3-4-14-5-9-17(10-6-14)25-19(23-24-20(25)26)13-27-12-15-7-8-16(22)11-18(15)21/h5-11H,2-4,12-13H2,1H3,(H,24,26)InChIKey
AOFOIPCJFCEZAH-UHFFFAOYSA-NSynonyms
4(4butylphenyl)3((2chloro4fluorophenyl)methylsulfanylmethyl)1H124triazole5thione
4(4butylphenyl)5(((2chloro4fluorobenzyl)sulfanyl)methyl)4H124triazole3thiol
4(4BUTYLPHENYL)5(((2CHLORO4FLUOROPHENYL)METHYLTHIO)METHYL)124TRIAZOLE3THIOL
CCCCC1=CC=C(C=C1)N2C(=NNC2=S)CSCC3=C(C=C(C=C3)F)Cl
InChI=1SC20H21ClFN3S2c1234145917(10614)2519(232420(25)26)132712157816(22)1118(15)21h511H241213H21H3(H2426)
MFCD04058374
ZINC000017092866
ZINC17092866
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