Vitas-M small molecule compound
1-benzyl-8,8-dimethyl-5-(4-nitrophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
Catalog ID
STK981199
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc(cc1)[N+](=O)[O-])c1c(N2)n(Cc2ccccc2)c(=O)[nH]c1=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 C26H24N4O5 MW 472.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N4O5/c1-26(2)12-18-21(19(31)13-26)20(16-8-10-17(11-9-16)30(34)35)22-23(27-18)29(25(33)28-24(22)32)14-15-6-4-3-5-7-15/h3-11,20,27H,12-14H2,1-2H3,(H,28,32,33)InChIKey
OZDPKJILYHGAKK-UHFFFAOYSA-NSynonyms
1benzyl88dimethyl5(4nitrophenyl)57910tetrahydropyrimido(45b)quinoline246trione
1benzyl88dimethyl5(4nitrophenyl)58910tetrahydropyrimido(45b)quinoline246(1H3H7H)trione
CC1(CC2=C(C(C3=C(N2)N(C(=O)NC3=O)CC4=CC=CC=C4)C5=CC=C(C=C5)(N+)(=O)(O))C(=O)C1)C
InChI=1SC26H24N4O5c126(2)121821(19(31)1326)20(1681017(11916)30(34)35)2223(2718)29(25(33)2824(22)32)14156435715h3112027H1214H212H3(H283233)
MFCD06290510
O=C1CC(C)(C)CC2=C1C(c1ccc(cc1)(N+)(=O)(O))c1c(N2)n(Cc2ccccc2)c(=O)(nH)c1=O
ZINC000008857612
ZINC000027515268
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