Vitas-M small molecule compound

1-(2,4-dimethylphenyl)-5-ethyl-1,3,5-triazinane-2-thione

Catalog ID
STK996971
SMILES CCN1CNC(=S)N(C1)c1ccc(cc1C)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 C13H19N3S MW 249.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H19N3S/c1-4-15-8-14-13(17)16(9-15)12-6-5-10(2)7-11(12)3/h5-7H,4,8-9H2,1-3H3,(H,14,17)
InChIKey
FJJUDCRMUHPGJD-UHFFFAOYSA-N
Synonyms
667908-52-3
1(24dimethylphenyl)5ethyl135triazinane2thione
667908523
CCN1CNC(=S)N(C1)C2=C(C=C(C=C2)C)C
InChI=1SC13H19N3Sc141581413(17)16(915)126510(2)711(12)3h57H489H213H3(H1417)
MFCD03679870
ZINC000019922895
ZINC19922895

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Available files

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