Vitas-M small molecule compound
3-(3-acetyl-2-amino-5-cyano-6-methyl-4H-pyran-4-yl)-1-methylpyridinium
Catalog ID
STL181824
SMILES N#CC1=C(C)OC(=C(C1c1ccc[n+](c1)C)C(=O)C)N
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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 C15H16N3O2 MW 270.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15N3O2/c1-9(19)13-14(11-5-4-6-18(3)8-11)12(7-16)10(2)20-15(13)17/h4-6,8,14H,1-3H3,(H-,17,19)/p+1InChIKey
LTTUWHWGLKDZSQ-UHFFFAOYSA-OSynonyms
3(3acetyl2amino5cyano6methyl4Hpyran4yl)1methylpyridinium
5ACETYL6AMINO2METHYL4(1METHYLPYRIDIN1IUM3YL)4HPYRAN3CARBONITRILE
CC1=C(C(C(=C(O1)N)C(=O)C)C2=C(N+)(=CC=C2)C)C#N
InChI=1SC15H15N3O2c19(19)1314(1154618(3)811)12(716)10(2)2015(13)17h46814H13H3(H1719)p+1
MFCD00730900
N#CC1=C(C)OC(=C(C1c1ccc(n+)(c1)C)C(=O)C)N
ZINC000000370221
ZINC000002765416
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