Vitas-M small molecule compound

ethyl 4-(5-benzyl-2-thioxo-1,3,5-triazinan-1-yl)benzoate

Catalog ID
STK996951
SMILES CCOC(=O)c1ccc(cc1)N1CN(CNC1=S)Cc1ccccc1

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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 C19H21N3O2S MW 355.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O2S/c1-2-24-18(23)16-8-10-17(11-9-16)22-14-21(13-20-19(22)25)12-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,20,25)
InChIKey
JJHCLCCEAMNDJE-UHFFFAOYSA-N
Synonyms
685130-58-9
685130589
CCOC(=O)C1=CC=C(C=C1)N2CN(CNC2=S)CC3=CC=CC=C3
ETHYL4(5BENZYL2SULFANYLIDENE135TRIAZINAN1YL)BENZOATE
ETHYL4(5BENZYL2THIOXO135TRIAZAPERHYDROINYL)BENZOATE
ethyl4(5benzyl2thioxo135triazinan1yl)benzoate
InChI=1SC19H21N3O2Sc122418(23)1681017(11916)221421(132019(22)25)12156435715h311H21214H21H3(H2025)
MFCD03678645
ZINC000020188749
ZINC20188749

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Available files

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