Vitas-M small molecule compound

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

Catalog ID
STK307202
SMILES CCOc1cc(CCn2c(S)nnc2c2cccc(c2)OC(C(F)F)(F)F)ccc1OCC

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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 C22H23F4N3O3S MW 485.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23F4N3O3S/c1-3-30-17-9-8-14(12-18(17)31-4-2)10-11-29-19(27-28-21(29)33)15-6-5-7-16(13-15)32-22(25,26)20(23)24/h5-9,12-13,20H,3-4,10-11H2,1-2H3,(H,28,33)
InChIKey
RKOPQJIPJXIOOH-UHFFFAOYSA-N
Synonyms
828290-37-5
4(2(34diethoxyphenyl)ethyl)3(3(1122tetrafluoroethoxy)phenyl)1H124triazole5thione
4(2(34diethoxyphenyl)ethyl)5(3(1122tetrafluoroethoxy)phenyl)4H124triazole3thiol
828290375
CCOC1=C(C=C(C=C1)CCN2C(=NNC2=S)C3=CC(=CC=C3)OC(C(F)F)(F)F)OCC
InChI=1SC22H23F4N3O3Sc1330179814(1218(17)3142)10112919(272821(29)33)1565716(1315)3222(2526)20(23)24h59121320H341011H212H3(H2833)
MFCD04049746
ZINC000002793181
ZINC02793181
ZINC2793181

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Available files

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