Vitas-M small molecule compound

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

Catalog ID
STK251336
SMILES CCn1c(SCC(=O)c2ccc(cc2Cl)Cl)nnc1C

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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 C13H13Cl2N3OS MW 330.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13Cl2N3OS/c1-3-18-8(2)16-17-13(18)20-7-12(19)10-5-4-9(14)6-11(10)15/h4-6H,3,7H2,1-2H3
InChIKey
YQZMAPFQBSEGII-UHFFFAOYSA-N
Synonyms

1(24dichlorophenyl)2((4ethyl5methyl124triazol3yl)sulfanyl)ethanone
1(24DICHLOROPHENYL)2((4ETHYL5METHYL4H124TRIAZOL3YL)SULFANYL)ETHANONE
1(24DICHLOROPHENYL)2(4ETHYL5METHYL4H(124)TRIAZOL3YLSULFANYL)ETHANONE
CCN1C(=NN=C1SCC(=O)C2=C(C=C(C=C2)Cl)Cl)C
InChI=1SC13H13Cl2N3OSc13188(2)161713(18)20712(19)10549(14)611(10)15h46H37H212H3
MFCD08670672
ZINC000009699237
ZINC09699237
ZINC9699237

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Available files

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