Vitas-M small molecule compound
5-(2-chloro-6-fluorobenzyl)-4-(3-methoxypropyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK448365
SMILES COCCCn1c(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 C13H15ClFN3OS MW 315.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15ClFN3OS/c1-19-7-3-6-18-12(16-17-13(18)20)8-9-10(14)4-2-5-11(9)15/h2,4-5H,3,6-8H2,1H3,(H,17,20)InChIKey
AQHJDAZRQNLNCS-UHFFFAOYSA-NSynonyms
3((2chloro6fluorophenyl)methyl)4(3methoxypropyl)1H124triazole5thione
5((2CHLORO6FLUOROPHENYL)METHYL)4(3METHOXYPROPYL)124TRIAZOLE3THIOL
5(2chloro6fluorobenzyl)4(3methoxypropyl)4H124triazole3thiol
COCCCN1C(=NNC1=S)CC2=C(C=CC=C2Cl)F
InChI=1SC13H15ClFN3OSc1197361812(161713(18)20)8910(14)42511(9)15h245H368H21H3(H1720)
MFCD04141088
ZINC000017053579
ZINC17053579
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