Vitas-M small molecule compound

3-(benzylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine

Catalog ID
STK858680
SMILES Cc1cc(C)n2c(n1)nnc2SCc1ccccc1

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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 C14H14N4S MW 270.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N4S/c1-10-8-11(2)18-13(15-10)16-17-14(18)19-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChIKey
GKTOUBDJSOUBHG-UHFFFAOYSA-N
Synonyms
41266-70-0
3(benzylsulfanyl)57dimethyl(124)triazolo(43a)pyrimidine
3(benzylthio)57dimethyl(124)triazolo(43a)pyrimidine
3BENZYLSULFANYL57DIMETHYL(124)TRIAZOLO(43A)PYRIMIDINE
41266700
57DIMETHYL3(PHENYLMETHYLTHIO)4HYDRO124TRIAZOLO(43A)PYRIMIDINE
CC1=CC(=NC2=NN=C(N12)SCC3=CC=CC=C3)C
InChI=1SC14H14N4Sc110811(2)1813(1510)161714(18)199126435712h38H9H212H3
MFCD01944515
ZINC000000114712
ZINC00114712
ZINC114712

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Available files

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