Vitas-M small molecule compound

2-{[4-(4-methoxyphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethanone

Catalog ID
STK576869
SMILES COc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)C)nnc1c1ccccn1

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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 C23H20N4O2S MW 416.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O2S/c1-16-6-8-17(9-7-16)21(28)15-30-23-26-25-22(20-5-3-4-14-24-20)27(23)18-10-12-19(29-2)13-11-18/h3-14H,15H2,1-2H3
InChIKey
ZSYVMCNQBXMHTN-UHFFFAOYSA-N
Synonyms
900277-22-7
2((4(4METHOXYPHENYL)5(PYRIDIN2YL)4H124TRIAZOL3YL)SULFANYL)1(4METHYLPHENYL)ETHAN1ONE
2((4(4methoxyphenyl)5(pyridin2yl)4H124triazol3yl)sulfanyl)1(4methylphenyl)ethanone
2((4(4methoxyphenyl)5(pyridin2yl)4H124triazol3yl)thio)1(ptolyl)ethanone
2((4(4METHOXYPHENYL)5PYRIDIN2YL124TRIAZOL3YL)SULFANYL)1(4METHYLPHENYL)ETHANONE
2(4(4METHOXYPHENYL)5(2PYRIDYL)(124TRIAZOL3YLTHIO))1(4METHYLPHENYL)ETHAN1ONE
900277227
CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=CC=N4
InChI=1SC23H20N4O2Sc1166817(9716)21(28)153023262522(20534142420)27(23)18101219(292)131118h314H15H212H3
MFCD06612109
ZINC000002356847
ZINC02356847
ZINC2356847

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Available files

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