Vitas-M small molecule compound

3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole

Catalog ID
STK062645
SMILES COc1ccc(cc1)n1c(nnc1c1ccc(cc1)C(C)(C)C)SCc1cccc(c1)C(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 C27H26F3N3OS MW 497.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26F3N3OS/c1-26(2,3)20-10-8-19(9-11-20)24-31-32-25(33(24)22-12-14-23(34-4)15-13-22)35-17-18-6-5-7-21(16-18)27(28,29)30/h5-16H,17H2,1-4H3
InChIKey
JQVJIYSBZOOXRO-UHFFFAOYSA-N
Synonyms
499103-42-3
1(5(4(TERTBUTYL)PHENYL)3((3(TRIFLUOROMETHYL)PHENYL)METHYLTHIO)(124TRIAZOL4YL))4METHOXYBENZENE
3(4(tertbutyl)phenyl)4(4methoxyphenyl)5((3(trifluoromethyl)benzyl)thio)4H124triazole
3(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)5(((3(TRIFLUOROMETHYL)PHENYL)METHYL)SULFANYL)4H124TRIAZOLE
3(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)5((3(TRIFLUOROMETHYL)BENZYL)SULFANYL)4H124TRIAZOLE
3(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)5((3(TRIFLUOROMETHYL)PHENYL)METHYLSULFANYL)124TRIAZOLE
499103423
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=CC(=CC=C4)C(F)(F)F
COc1ccc(cc1)n1c(nnc1c1ccc(cc1)C(C)(C)C)SCc1cccc(c1)C(F)(F)F
InChI=1SC27H26F3N3OSc126(23)2010819(91120)24313225(33(24)22121423(344)151322)35171865721(1618)27(2829)30h516H17H214H3
MFCD03474125
STK062645
ZINC000002236975
ZINC02236975
ZINC2236975

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Available files

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