Vitas-M small molecule compound

5-({3-[benzyl(dimethyl)ammonio]propyl}carbamoyl)-2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium

Catalog ID
STL300217
SMILES O/N=C/c1ccc(c[n+]1C)C(=O)NCCC[N+](Cc1ccccc1)(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 C20H28N4O2 MW 356.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O2/c1-23-15-18(10-11-19(23)14-22-26)20(25)21-12-7-13-24(2,3)16-17-8-5-4-6-9-17/h4-6,8-11,14-15H,7,12-13,16H2,1-3H3/p+2
InChIKey
MRICCXXBEVJJST-UHFFFAOYSA-P
Synonyms

(E)5((3(benzyldimethylammonio)propyl)carbamoyl)2((hydroxyimino)methyl)1methylpyridin1iumiodide
5((3(benzyl(dimethyl)ammonio)propyl)carbamoyl)2((E)(hydroxyimino)methyl)1methylpyridinium
BENZYLDIMETHYL(3((1METHYL6(OXOAZANIUMYLMETHYLIDENE)PYRIDINE3CARBONYL)AMINO)PROPYL)AZANIUM
CN1C=C(C=CC1=C(NH+)=O)C(=O)NCCC(N+)(C)(C)CC2=CC=CC=C2
InChI=1SC20H26N4O2c1231518(101119(23)142226)20(25)211271324(23)16178546917h468111415H7121316H213H3p+2
MFCD02578864
ON=Cc1ccc(c(n+)1C)C(=O)NCCC(N+)(Cc1ccccc1)(C)C
ON=Cc1ccc(c(n+)1C)C(=O)NCCC(N+)(Cc1ccccc1)(C)C(I)(I)
ZINC000038170303
ZINC000137176189
ZINC01749666
ZINC1749666

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Available files

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