Vitas-M small molecule compound

3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]butan-2-one

Catalog ID
STK953751
SMILES CC(=O)C(Sc1nn2c(n1)nc(cc2C)C)C

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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 C11H14N4OS MW 250.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H14N4OS/c1-6-5-7(2)15-10(12-6)13-11(14-15)17-9(4)8(3)16/h5,9H,1-4H3
InChIKey
XKNGCNMIBQUFEM-UHFFFAOYSA-N
Synonyms

(3R)3((57DIMETHYL(124)TRIAZOLO(15A)PYRIMIDIN2YL)SULFANYL)BUTAN2ONE
3((57dimethyl(124)triazolo(15a)pyrimidin2yl)sulfanyl)butan2one
3(57DIMETHYL8HYDRO124TRIAZOLO(15A)PYRIMIDIN2YLTHIO)BUTAN2ONE
CC1=CC(=NC2=NC(=NN12)SC(C)C(=O)C)C
InChI=1SC11H14N4OSc1657(2)1510(126)1311(1415)179(4)8(3)16h59H14H3
MFCD05885101
ZINC000002708645
ZINC000002708646

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Available files

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