Vitas-M small molecule compound
1,3-dimethyl-5-(4-nitrobenzyl)-5-{[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK098553
SMILES O=C1N(C)C(=O)C(C(=O)N1C)(CN1CC2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc(cc1)[N+](=O)[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 C25H27N5O6 MW 493.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O6/c1-26-22(32)25(23(33)27(2)24(26)34,11-16-6-8-19(9-7-16)30(35)36)15-28-12-17-10-18(14-28)20-4-3-5-21(31)29(20)13-17/h3-9,17-18H,10-15H2,1-2H3/t17?,18-/m0/s1InChIKey
KOOCUIVPYQKONI-ZVAWYAOSSA-NSynonyms
1212439-01-41212439014
13dimethyl5(4nitrobenzyl)5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)pyrimidine246(1H3H5H)trione
13dimethyl5(4nitrobenzyl)5(((1S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)pyrimidine246(1H3H5H)trione
CN1C(=O)C(C(=O)N(C1=O)C)(CC2=CC=C(C=C2)(N+)(=O)(O))CN3CC4CC(C3)C5=CC=CC(=O)N5C4
InChI=1SC25H27N5O6c12622(32)25(23(33)27(2)24(26)3411166819(9716)30(35)36)152812171018(1428)2043521(31)29(20)1317h391718H1015H212H3t17?18m0s1
O=C1N(C)C(=O)C(C(=O)N1C)(CN1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)Cc1ccc(cc1)(N+)(=O)(O)
O=C1N(C)C(=O)C(C(=O)N1C)(CN1CC2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cc1ccc(cc1)(N+)(=O)(O)
STK098553
ZINC000020111268
Check stock
See real-time availability and sample size for STK098553 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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