Vitas-M small molecule compound

methyl 4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}benzoate

Catalog ID
STK837672
SMILES COC(=O)c1ccc(cc1)CSc1nc(C)cc(n1)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 C15H16N2O2S MW 288.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N2O2S/c1-10-8-11(2)17-15(16-10)20-9-12-4-6-13(7-5-12)14(18)19-3/h4-8H,9H2,1-3H3
InChIKey
JPTGBIRAUQZWFM-UHFFFAOYSA-N
Synonyms
326880-29-9
326880299
CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)OC)C
InChI=1SC15H16N2O2Sc110811(2)1715(1610)209124613(7512)14(18)193h48H9H213H3
METHYL4(((46DIMETHYL2PYRIMIDINYL)SULFANYL)METHYL)BENZOATE
methyl4(((46dimethylpyrimidin2yl)sulfanyl)methyl)benzoate
METHYL4(((46DIMETHYLPYRIMIDIN2YL)THIO)METHYL)BENZOATE
METHYL4((46DIMETHYLPYRIMIDIN2YL)SULFANYLMETHYL)BENZOATE
METHYL4((46DIMETHYLPYRIMIDIN2YLTHIO)METHYL)BENZOATE
MFCD02222152
ZINC000000067547
ZINC00067547
ZINC67547

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Available files

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