Vitas-M small molecule compound
1-benzyl-4-{[(E)-(1-cyclohexyl-2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]amino}-1-methylpiperidinium
Catalog ID
STL043340
SMILES O=C1N=C(O)N(C(=O)/C/1=C/NC1CC[N+](CC1)(C)Cc1ccccc1)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 C24H33N4O3 MW 425.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H32N4O3/c1-28(17-18-8-4-2-5-9-18)14-12-19(13-15-28)25-16-21-22(29)26-24(31)27(23(21)30)20-10-6-3-7-11-20/h2,4-5,8-9,16,19-20H,3,6-7,10-15,17H2,1H3,(H-,25,26,29,30,31)/p+1InChIKey
BPXJVDHCUFDPEY-UHFFFAOYSA-OSynonyms
(5E)5(((1BENZYL1METHYLPIPERIDIN1IUM4YL)AMINO)METHYLIDENE)1CYCLOHEXYL13DIAZINANE246TRIONE
1benzyl4(((E)(1cyclohexyl2hydroxy46dioxo16dihydropyrimidin5(4H)ylidene)methyl)amino)1methylpiperidinium
1BENZYL4((E)((1CYCLOHEXYL246TRIOXO13DIAZINAN5YL)METHYLIDENE)AMINO)1METHYLPIPERIDIN1IUM
5(((1BENZYL1METHYLPIPERIDIN1IUM4YL)AMINO)METHYLIDENE)1CYCLOHEXYL13DIAZINANE246TRIONE
C(N+)1(CCC(CC1)NC=C2C(=O)NC(=O)N(C2=O)C3CCCCC3)CC4=CC=CC=C4
InChI=1SC24H32N4O3c128(17188425918)141219(131528)25162122(29)2624(31)27(23(21)30)20106371120h24589161920H367101517H21H3(H2526293031)p+1
O=C1N=C(O)N(C(=O)C1=CNC1CC(N+)(CC1)(C)Cc1ccccc1)C1CCCCC1
ZINC000006202649
ZINC0511971628
ZINC06202649
ZINC6202649
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.