Vitas-M small molecule compound

6-tert-butyl-2-methylpyrimidin-4(3H)-one

Catalog ID
STL125443
SMILES O=c1cc(nc([nH]1)C)C(C)(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 C9H14N2O MW 166.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H14N2O/c1-6-10-7(9(2,3)4)5-8(12)11-6/h5H,1-4H3,(H,10,11,12)
InChIKey
FWEQJBRRCSMYRJ-UHFFFAOYSA-N
Synonyms
66700-33-2
2METHYL4HYDROXY6TERTBUTYLPYRIMIDINE
4TBUTYL2METHYLPYRIMIDIN6OL
6(TERTBUTYL)2METHYLPYRIMIDIN4OL
66700332
6tertbutyl2methyl1Hpyrimidin4one
6tertbutyl2methylpyrimidin4(3H)one
CC1=NC(=O)C=C(N1)C(C)(C)C
InChI=1SC9H14N2Oc16107(9(23)4)58(12)116h5H14H3(H101112)
MFCD12137517
O=c1cc(nc((nH)1)C)C(C)(C)C
ZINC000036755118
ZINC36755118

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Available files

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