Vitas-M small molecule compound

4-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-3-nitrobenzaldehyde

Catalog ID
STK796811
SMILES O=Cc1ccc(c(c1)[N+](=O)[O-])Sc1nc(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 C13H11N3O3S MW 289.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11N3O3S/c1-8-5-9(2)15-13(14-8)20-12-4-3-10(7-17)6-11(12)16(18)19/h3-7H,1-2H3
InChIKey
QCGRXIXHGGPRHT-UHFFFAOYSA-N
Synonyms
663206-27-7
4((46DIMETHYL2PYRIMIDINYL)THIO)3NITROBENZALDEHYDE
4((46dimethylpyrimidin2yl)sulfanyl)3nitrobenzaldehyde
4((46DIMETHYLPYRIMIDIN2YL)THIO)3NITROBENZALDEHYDE
4(46DIMETHYLPYRIMIDIN2YL)SULFANYL3NITROBENZALDEHYDE
4(46DIMETHYLPYRIMIDIN2YLSULFANYL)3NITROBENZALDEHYDE
4(46DIMETHYLPYRIMIDIN2YLTHIO)3NITROBENZALDEHYDE
663206277
CC1=CC(=NC(=N1)SC2=C(C=C(C=C2)C=O)(N+)(=O)(O))C
InChI=1SC13H11N3O3Sc1859(2)1513(148)20124310(717)611(12)16(18)19h37H12H3
MFCD03998205
O=Cc1ccc(c(c1)(N+)(=O)(O))Sc1nc(C)cc(n1)C
ZINC000000470709
ZINC00470709
ZINC470709

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Available files

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