Vitas-M small molecule compound

5-benzyl-1-(3-chloro-4-fluorophenyl)-1,3,5-triazinane-2-thione

Catalog ID
STK179854
SMILES S=C1NCN(CN1c1ccc(c(c1)Cl)F)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 C16H15ClFN3S MW 335.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15ClFN3S/c17-14-8-13(6-7-15(14)18)21-11-20(10-19-16(21)22)9-12-4-2-1-3-5-12/h1-8H,9-11H2,(H,19,22)
InChIKey
PCROMJZZBMZTRA-UHFFFAOYSA-N
Synonyms
676625-23-3
5BENZYL1(3CHLORO4FLUOROPHENYL)135TRIAZINANE2THIONE
676625233
C1NC(=S)N(CN1CC2=CC=CC=C2)C3=CC(=C(C=C3)F)Cl
InChI=1SC16H15ClFN3Sc1714813(6715(14)18)211120(101916(21)22)9124213512h18H911H2(H1922)
MFCD03676726
ZINC000019868978
ZINC19868978

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Available files

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