Vitas-M small molecule compound

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

Catalog ID
STK804106
SMILES Clc1ccc(c(c1)Cl)C(=O)CSc1nnc(n1C)c1cccnc1

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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 C16H12Cl2N4OS MW 379.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12Cl2N4OS/c1-22-15(10-3-2-6-19-8-10)20-21-16(22)24-9-14(23)12-5-4-11(17)7-13(12)18/h2-8H,9H2,1H3
InChIKey
OMFYQOASOOHBJG-UHFFFAOYSA-N
Synonyms

1(24dichlorophenyl)2((4methyl5(pyridin3yl)4H124triazol3yl)sulfanyl)ethanone
1(24DICHLOROPHENYL)2((4METHYL5PYRIDIN3YL124TRIAZOL3YL)SULFANYL)ETHANONE
1(24DICHLOROPHENYL)2(4METHYL5(3PYRIDYL)(124TRIAZOL3YLTHIO))ETHAN1ONE
CN1C(=NN=C1SCC(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CN=CC=C3
InChI=1SC16H12Cl2N4OSc12215(1032619810)202116(22)24914(23)125411(17)713(12)18h28H9H21H3
MFCD03621321
ZINC000000938561
ZINC00938561
ZINC938561

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Available files

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