Vitas-M small molecule compound
1,3,8,8-tetramethyl-5-(3-nitrophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
Catalog ID
STK368863
SMILES O=C1CC(C)(C)CC2=C1C(c1cccc(c1)[N+](=O)[O-])c1c(N2)n(C)c(=O)n(c1=O)C
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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 C21H22N4O5 MW 410.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O5/c1-21(2)9-13-16(14(26)10-21)15(11-6-5-7-12(8-11)25(29)30)17-18(22-13)23(3)20(28)24(4)19(17)27/h5-8,15,22H,9-10H2,1-4H3InChIKey
VBFOIFRNIAYQEV-UHFFFAOYSA-NSynonyms
294198-01-91388tetramethyl5(3nitrophenyl)57910tetrahydropyrimido(45b)quinoline246trione
1388tetramethyl5(3nitrophenyl)58910tetrahydropyrimido(45b)quinoline246(1H3H7H)trione
294198019
CC1(CC2=C(C(C3=C(N2)N(C(=O)N(C3=O)C)C)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)C1)C
InChI=1SC21H22N4O5c121(2)91316(14(26)1021)15(1165712(811)25(29)30)1718(2213)23(3)20(28)24(4)19(17)27h581522H910H214H3
MFCD00339516
O=C1CC(C)(C)CC2=C1C(c1cccc(c1)(N+)(=O)(O))c1c(N2)n(C)c(=O)n(c1=O)C
ZINC000001505185
ZINC000001505189
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