Vitas-M small molecule compound

6-(2-aminophenyl)-3-(butylsulfanyl)-1,2,4-triazin-5-ol

Catalog ID
STK509615
SMILES CCCCSc1nnc(c(n1)O)c1ccccc1N

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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 C13H16N4OS MW 276.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N4OS/c1-2-3-8-19-13-15-12(18)11(16-17-13)9-6-4-5-7-10(9)14/h4-7H,2-3,8,14H2,1H3,(H,15,17,18)
InChIKey
KPGCRNWZRXGTOK-UHFFFAOYSA-N
Synonyms

6(2aminophenyl)3(butylsulfanyl)124triazin5ol
6(2AMINOPHENYL)3BUTYLSULFANYL2H124TRIAZIN5ONE
CCCCSC1=NC(=O)C(=NN1)C2=CC=CC=C2N
InChI=1SC13H16N4OSc123819131512(18)11(161713)9645710(9)14h47H23814H21H3(H151718)
MFCD13369966
ZINC000008578679
ZINC8578679

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Available files

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