Vitas-M small molecule compound

1-(2,4-dichlorophenyl)-2-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Catalog ID
STK245883
SMILES Clc1ccc(c(c1)Cl)C(=O)CSc1nnc(n1C)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 C12H11Cl2N3OS MW 316.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11Cl2N3OS/c1-7-15-16-12(17(7)2)19-6-11(18)9-4-3-8(13)5-10(9)14/h3-5H,6H2,1-2H3
InChIKey
YTCDZXJLDTVKDE-UHFFFAOYSA-N
Synonyms

1(24dichlorophenyl)2((45dimethyl124triazol3yl)sulfanyl)ethanone
1(24DICHLOROPHENYL)2((45DIMETHYL4H124TRIAZOL3YL)SULFANYL)ETHANONE
1(24DICHLOROPHENYL)2((DIMETHYL4H124TRIAZOL3YL)SULFANYL)ETHAN1ONE
1(24DICHLOROPHENYL)2(45DIMETHYL4H(124)TRIAZOL3YLSULFANYL)ETHANONE
CC1=NN=C(N1C)SCC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI=1SC12H11Cl2N3OSc17151612(17(7)2)19611(18)9438(13)510(9)14h35H6H212H3
MFCD08670661
ZINC000009328380
ZINC09328380
ZINC9328380

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Available files

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