Vitas-M small molecule compound

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

Catalog ID
STK251335
SMILES CCn1c(SCC(=O)c2ccc(cc2)Br)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 C13H14BrN3OS MW 340.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14BrN3OS/c1-3-17-9(2)15-16-13(17)19-8-12(18)10-4-6-11(14)7-5-10/h4-7H,3,8H2,1-2H3
InChIKey
KKHZJEVVQHGBCU-UHFFFAOYSA-N
Synonyms

1(4bromophenyl)2((4ethyl5methyl124triazol3yl)sulfanyl)ethanone
1(4BROMOPHENYL)2((4ETHYL5METHYL4H124TRIAZOL3YL)SULFANYL)ETHANONE
1(4BROMOPHENYL)2(4ETHYL5METHYL4H(124)TRIAZOL3YLSULFANYL)ETHANONE
CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)C
InChI=1SC13H14BrN3OSc13179(2)151613(17)19812(18)104611(14)7510h47H38H212H3
MFCD08670670
ZINC000009699235
ZINC09699235
ZINC9699235

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Available files

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