Vitas-M small molecule compound
2-{4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-6-methylpyrimidin-2-yl}phenolate
Catalog ID
STL045492
SMILES Cc1cc(nc(n1)c1ccccc1[O-])N1CC[NH+](CC1)C(c1ccccc1)c1ccccc1
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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 C28H28N4O MW 436.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O/c1-21-20-26(30-28(29-21)24-14-8-9-15-25(24)33)31-16-18-32(19-17-31)27(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,20,27,33H,16-19H2,1H3InChIKey
JGHJPSFKSHJTPI-UHFFFAOYSA-NSynonyms
2(4(4(diphenylmethyl)piperazin4ium1yl)6methylpyrimidin2yl)phenolate
2(4(4BENZHYDRYLPIPERAZIN4IUM1YL)6METHYLPYRIMIDIN2YL)PHENOLATE
CC1=CC(=NC(=N1)C2=CC=CC=C2(O))N3CC(NH+)(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5
Cc1cc(nc(n1)c1ccccc1(O))N1CC(NH+)(CC1)C(c1ccccc1)c1ccccc1
InChI=1SC28H28N4Oc1212026(3028(2921)2414891525(24)33)31161832(191731)27(22104251122)23126371323h215202733H1619H21H3
MFCD02932465
ZINC000004647324
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