Vitas-M small molecule compound

1-(2-chlorophenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione

Catalog ID
STK696117
SMILES Clc1ccccc1N1CN(CCc2ccccc2)CNC1=S

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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 C17H18ClN3S MW 331.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18ClN3S/c18-15-8-4-5-9-16(15)21-13-20(12-19-17(21)22)11-10-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,19,22)
InChIKey
GQHNTNCWIKHICE-UHFFFAOYSA-N
Synonyms

1(2chlorophenyl)5(2phenylethyl)135triazinane2thione
C1NC(=S)N(CN1CCC2=CC=CC=C2)C3=CC=CC=C3Cl
InChI=1SC17H18ClN3Sc1815845916(15)211320(121917(21)22)1110146213714h19H1013H2(H1922)
MFCD06757893
ZINC000012376294
ZINC12376294

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Available files

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