Vitas-M small molecule compound

2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone

Catalog ID
STK697144
SMILES O=C(c1ccccc1)CSc1nnc(n1C)c1ccc(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 C21H23N3OS MW 365.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3OS/c1-21(2,3)17-12-10-16(11-13-17)19-22-23-20(24(19)4)26-14-18(25)15-8-6-5-7-9-15/h5-13H,14H2,1-4H3
InChIKey
ZRQFYQMMCYFIFD-UHFFFAOYSA-N
Synonyms
261627-13-8
2((5(4(TERTBUTYL)PHENYL)4METHYL4H124TRIAZOL3YL)THIO)1PHENYLETHAN1ONE
2((5(4(tertbutyl)phenyl)4methyl4H124triazol3yl)thio)1phenylethanone
2((5(4TERTBUTYLPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2((5(4TERTBUTYLPHENYL)4METHYL4H124TRIAZOL3YL)SULFANYL)1PHENYLETHAN1ONE
2((5(4tertbutylphenyl)4methyl4H124triazol3yl)sulfanyl)1phenylethanone
2(5(4(TERTBUTYL)PHENYL)4METHYL(124TRIAZOL3YLTHIO))1PHENYLETHAN1ONE
261627138
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)C3=CC=CC=C3
InChI=1SC21H23N3OSc121(23)17121016(111317)19222320(24(19)4)261418(25)158657915h513H14H214H3
MFCD00177352
ZINC000001047269
ZINC01047269
ZINC1047269

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.