Vitas-M small molecule compound

4-(3-ethoxypropyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4H-1,2,4-triazole-3-thiol

Catalog ID
STK307136
SMILES CCOCCCn1c(S)nnc1c1cccc(c1)OC(C(F)F)(F)F

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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 C15H17F4N3O2S MW 379.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17F4N3O2S/c1-2-23-8-4-7-22-12(20-21-14(22)25)10-5-3-6-11(9-10)24-15(18,19)13(16)17/h3,5-6,9,13H,2,4,7-8H2,1H3,(H,21,25)
InChIKey
PYMHEROCFZNNCE-UHFFFAOYSA-N
Synonyms
828288-22-8
4(3ethoxypropyl)3(3(1122tetrafluoroethoxy)phenyl)1H124triazole5thione
4(3ethoxypropyl)5(3(1122tetrafluoroethoxy)phenyl)4H124triazole3thiol
828288228
CCOCCCN1C(=NNC1=S)C2=CC(=CC=C2)OC(C(F)F)(F)F
InChI=1SC15H17F4N3O2Sc12238472212(202114(22)25)1053611(910)2415(1819)13(16)17h356913H2478H21H3(H2125)
MFCD04053654
ZINC000002792737
ZINC02792737
ZINC2792737

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Available files

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