Vitas-M small molecule compound
N-[(E)-{3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl}methylidene]-3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STL176167
SMILES COc1ccc(cc1COc1ccc(cc1)C(C)(C)C)/C=N/n1c(SC)nnc1C(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 C23H26F2N4O2S MW 460.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26F2N4O2S/c1-23(2,3)17-7-9-18(10-8-17)31-14-16-12-15(6-11-19(16)30-4)13-26-29-21(20(24)25)27-28-22(29)32-5/h6-13,20H,14H2,1-5H3/b26-13+InChIKey
UBHZAVTYMCCHRS-LGJNPRDNSA-NSynonyms
828281-46-5(E)1(3((4tertbutylphenoxy)methyl)4methoxyphenyl)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)methanimine
828281465
CC(C)(C)C1=CC=C(C=C1)OCC2=C(C=CC(=C2)C=NN3C(=NN=C3SC)C(F)F)OC
COc1ccc(cc1COc1ccc(cc1)C(C)(C)C)C=Nn1c(SC)nnc1C(F)F
InChI=1SC23H26F2N4O2Sc123(23)177918(10817)3114161215(61119(16)304)13262921(20(24)25)272822(29)325h61320H14H215H3b2613+
MFCD06195362
N((E)(3((4tertbutylphenoxy)methyl)4methoxyphenyl)methylidene)3(difluoromethyl)5(methylsulfanyl)4H124triazol4amine
ZINC000002791269
ZINC2791268
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