Vitas-M small molecule compound
4-(2,4-dimethoxyphenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK306649
SMILES COc1cc(OC)ccc1n1c(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 C18H15F4N3O3S MW 429.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15F4N3O3S/c1-26-11-6-7-13(14(9-11)27-2)25-15(23-24-17(25)29)10-4-3-5-12(8-10)28-18(21,22)16(19)20/h3-9,16H,1-2H3,(H,24,29)InChIKey
KMHLXSIRTUMFCU-UHFFFAOYSA-NSynonyms
828281-92-14(24dimethoxyphenyl)3(3(1122tetrafluoroethoxy)phenyl)1H124triazole5thione
4(24dimethoxyphenyl)5(3(1122tetrafluoroethoxy)phenyl)4H124triazole3thiol
828281921
COC1=CC(=C(C=C1)N2C(=NNC2=S)C3=CC(=CC=C3)OC(C(F)F)(F)F)OC
InChI=1SC18H15F4N3O3Sc126116713(14(911)272)2515(232417(25)29)1043512(810)2818(2122)16(19)20h3916H12H3(H2429)
MFCD04052710
ZINC000002791385
ZINC2791385
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