Vitas-M small molecule compound
4-(4-butylphenyl)-5-(2-chloro-6-fluorobenzyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK444067
SMILES CCCCc1ccc(cc1)n1c(S)nnc1Cc1c(F)cccc1Cl
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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 C19H19ClFN3S MW 375.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19ClFN3S/c1-2-3-5-13-8-10-14(11-9-13)24-18(22-23-19(24)25)12-15-16(20)6-4-7-17(15)21/h4,6-11H,2-3,5,12H2,1H3,(H,23,25)InChIKey
GBQSGVHCCWJQFM-UHFFFAOYSA-NSynonyms
4(4butylphenyl)3((2chloro6fluorophenyl)methyl)1H124triazole5thione
4(4BUTYLPHENYL)5((2CHLORO6FLUOROPHENYL)METHYL)124TRIAZOLE3THIOL
4(4butylphenyl)5(2chloro6fluorobenzyl)4H124triazole3thiol
CCCCC1=CC=C(C=C1)N2C(=NNC2=S)CC3=C(C=CC=C3Cl)F
InChI=1SC19H19ClFN3Sc12351381014(11913)2418(222319(24)25)121516(20)64717(15)21h4611H23512H21H3(H2325)
MFCD04055261
ZINC000006390669
ZINC06390669
ZINC6390669
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