Vitas-M small molecule compound

5-(furan-2-ylmethyl)-1-(2-phenylethyl)-1,3,5-triazinane-2-thione

Catalog ID
STL168789
SMILES S=C1NCN(CN1CCc1ccccc1)Cc1ccco1

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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 C16H19N3OS MW 301.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N3OS/c21-16-17-12-18(11-15-7-4-10-20-15)13-19(16)9-8-14-5-2-1-3-6-14/h1-7,10H,8-9,11-13H2,(H,17,21)
InChIKey
XOVLHPBLSHTJHP-UHFFFAOYSA-N
Synonyms
676243-80-4
5(furan2ylmethyl)1(2phenylethyl)135triazinane2thione
5(FURAN2YLMETHYL)1PHENETHYL135TRIAZINANE2THIONE
5FURAN2YLMETHYL1PHENETHYL(135)TRIAZINANE2THIONE
676243804
C1NC(=S)N(CN1CC2=CC=CO2)CCC3=CC=CC=C3
InChI=1SC16H19N3OSc2116171218(111574102015)1319(16)98145213614h1710H891113H2(H1721)
MFCD03679862
ZINC000013636048
ZINC13636048

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Available files

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