Vitas-M small molecule compound

4-{[(E)-{3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl}methylidene]amino}-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK306812
SMILES COc1ccc(cc1COc1ccc(cc1)C(C)(C)C)/C=N/n1c(S)nnc1C(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 C22H23F3N4O2S MW 464.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23F3N4O2S/c1-21(2,3)16-6-8-17(9-7-16)31-13-15-11-14(5-10-18(15)30-4)12-26-29-19(22(23,24)25)27-28-20(29)32/h5-12H,13H2,1-4H3,(H,28,32)/b26-12+
InChIKey
WQCLHCWAEXNSDA-RPPGKUMJSA-N
Synonyms
828285-13-8
4(((E)(3((4tertbutylphenoxy)methyl)4methoxyphenyl)methylidene)amino)5(trifluoromethyl)4H124triazole3thiol
4((E)(3((4tertbutylphenoxy)methyl)4methoxyphenyl)methylideneamino)3(trifluoromethyl)1H124triazole5thione
828285138
CC(C)(C)C1=CC=C(C=C1)OCC2=C(C=CC(=C2)C=NN3C(=NNC3=S)C(F)(F)F)OC
COc1ccc(cc1COc1ccc(cc1)C(C)(C)C)C=Nn1c(S)nnc1C(F)(F)F
InChI=1SC22H23F3N4O2Sc121(23)166817(9716)3113151114(51018(15)304)12262919(22(2324)25)272820(29)32h512H13H214H3(H2832)b2612+
MFCD04056488
ZINC000002791937
ZINC2791936

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Available files

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