Vitas-M small molecule compound

1-(4-methylphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione

Catalog ID
STL238980
SMILES Cc1ccc(cc1)N1CN(CNC1=S)CCc1ccccc1

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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 C18H21N3S MW 311.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3S/c1-15-7-9-17(10-8-15)21-14-20(13-19-18(21)22)12-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,19,22)
InChIKey
MGHZFAKRAMXRBC-UHFFFAOYSA-N
Synonyms
685130-82-9
1(4methylphenyl)5(2phenylethyl)135triazinane2thione
1(4METHYLPHENYL)5PHENETHYL135TRIAZINANE2THIONE
5PHENETHYL1(PTOLYL)135TRIAZINANE2THIONE
5PHENETHYL1PTOLYL(135)TRIAZINANE2THIONE
685130829
CC1=CC=C(C=C1)N2CN(CNC2=S)CCC3=CC=CC=C3
InChI=1SC18H21N3Sc1157917(10815)211420(131918(21)22)1211165324616h210H1114H21H3(H1922)
MFCD03677285
ZINC000013636097
ZINC13636097

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Available files

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