Vitas-M small molecule compound

1-benzyl-5-butyl-1,3,5-triazinane-2-thione

Catalog ID
STK409809
SMILES CCCCN1CNC(=S)N(C1)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 C14H21N3S MW 263.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H21N3S/c1-2-3-9-16-11-15-14(18)17(12-16)10-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H,15,18)
InChIKey
BBBXVELXIKZMIJ-UHFFFAOYSA-N
Synonyms
799787-22-7
1BENZYL5BUTYL(135)TRIAZINANE2THIONE
1benzyl5butyl135triazinane2thione
799787227
CCCCN1CNC(=S)N(C1)CC2=CC=CC=C2
InChI=1SC14H21N3Sc123916111514(18)17(1216)10137546813h48H23912H21H3(H1518)
MFCD03675846
ZINC000020171657
ZINC20171657

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Available files

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