Vitas-M small molecule compound

4-(methoxycarbonyl)-1-methylpyridinium 4-methylbenzenesulfonate

Catalog ID
STK012078
SMILES Cc1ccc(cc1)S(=O)(=O)[O-].COC(=O)c1cc[n+](cc1)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 C15H17NO5S MW 323.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H10NO2.C7H8O3S/c1-9-5-3-7(4-6-9)8(10)11-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey
PAOSPRAYKFPVNR-UHFFFAOYSA-M
Synonyms
1031-03-4
1031034
4(METHOXYCARBONYL)1METHYLPYRIDINIUM4METHYLBENZENESULFONATE
4methylbenzenesulfonatemethyl1methylpyridin1ium4carboxylate
CC1=CC=C(C=C1)S(=O)(=O)(O)C(N+)1=CC=C(C=C1)C(=O)OC
Cc1ccc(cc1)S(=O)(=O)(O)COC(=O)c1cc(n+)(cc1)C
InChI=1SC8H10NO2C7H8O3Sc19537(469)8(10)11216247(536)11(89)10h36H12H325H1H3(H8910)q+1p1
MFCD00225456
STK012078
ZINC000000332665

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Available files

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