Vitas-M small molecule compound
4-(2-ethoxyphenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK307180
SMILES CCOc1ccccc1n1c(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 C18H15F4N3O2S MW 413.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15F4N3O2S/c1-2-26-14-9-4-3-8-13(14)25-15(23-24-17(25)28)11-6-5-7-12(10-11)27-18(21,22)16(19)20/h3-10,16H,2H2,1H3,(H,24,28)InChIKey
OYHKBWLMBSKHSN-UHFFFAOYSA-NSynonyms
828290-11-54(2ethoxyphenyl)3(3(1122tetrafluoroethoxy)phenyl)1H124triazole5thione
4(2ethoxyphenyl)5(3(1122tetrafluoroethoxy)phenyl)4H124triazole3thiol
828290115
CCOC1=CC=CC=C1N2C(=NNC2=S)C3=CC(=CC=C3)OC(C(F)F)(F)F
InChI=1SC18H15F4N3O2Sc122614943813(14)2515(232417(25)28)1165712(1011)2718(2122)16(19)20h31016H2H21H3(H2428)
MFCD04049745
ZINC000002793126
ZINC2793126
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