Vitas-M small molecule compound
2-[(E)-{[4-(4-methylphenyl)piperazin-4-ium-1-yl]imino}methyl]phenolate
Catalog ID
STL147898
SMILES Cc1ccc(cc1)[NH+]1CCN(CC1)/N=C/c1ccccc1[O-]
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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 C18H21N3O MW 295.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O/c1-15-6-8-17(9-7-15)20-10-12-21(13-11-20)19-14-16-4-2-3-5-18(16)22/h2-9,14,22H,10-13H2,1H3/b19-14+InChIKey
XAXSRAZQEBSBJP-XMHGGMMESA-NSynonyms
1351284-61-11351284611
2((E)((4(4methylphenyl)piperazin4ium1yl)imino)methyl)phenolate
2((E)(4(4methylphenyl)piperazin4ium1yl)iminomethyl)phenolate
CC1=CC=C(C=C1)(NH+)2CCN(CC2)N=CC3=CC=CC=C3(O)
Cc1ccc(cc1)(NH+)1CCN(CC1)N=Cc1ccccc1(O)
InChI=1SC18H21N3Oc1156817(9715)20101221(131120)191416423518(16)22h291422H1013H21H3b1914+
MFCD03092362
ZINC000000136729
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