Vitas-M small molecule compound
2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide
Catalog ID
STK049260
SMILES COc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2C)C)nnc1c1ccc(cc1)C(C)(C)C
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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 C29H32N4O2S MW 500.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4O2S/c1-19-8-7-9-25(20(19)2)30-26(34)18-36-28-32-31-27(21-10-12-22(13-11-21)29(3,4)5)33(28)23-14-16-24(35-6)17-15-23/h7-17H,18H2,1-6H3,(H,30,34)InChIKey
WYIIPLBPPDOUCO-UHFFFAOYSA-NSynonyms
499103-45-62((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)N(23dimethylphenyl)acetamide
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)N(23DIMETHYLPHENYL)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)N(23DIMETHYLPHENYL)ACETAMIDE
2(5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))N(23DIMETHYLPHENYL)ACETAMIDE
499103456
CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C(C)(C)C)C
COc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2C)C)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC29H32N4O2Sc11987925(20(19)2)3026(34)183628323127(21101222(131121)29(34)5)33(28)23141624(356)171523h717H18H216H3(H3034)
MFCD03224030
STK049260
ZINC000002212741
ZINC02212741
ZINC2212741
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.