Vitas-M small molecule compound

8,8-dimethyl-5-(4-nitrophenyl)-2-phenyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione

Catalog ID
STK981237
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc(cc1)[N+](=O)[O-])c1c(N2)nc([nH]c1=O)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 C25H22N4O4 MW 442.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O4/c1-25(2)12-17-20(18(30)13-25)19(14-8-10-16(11-9-14)29(32)33)21-23(26-17)27-22(28-24(21)31)15-6-4-3-5-7-15/h3-11,19H,12-13H2,1-2H3,(H2,26,27,28,31)
InChIKey
LPZGIUQILAHEIA-UHFFFAOYSA-N
Synonyms

88dimethyl5(4nitrophenyl)2phenyl57910tetrahydro1Hpyrimido(45b)quinoline46dione
88dimethyl5(4nitrophenyl)2phenyl58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)C4=CC=CC=C4)C5=CC=C(C=C5)(N+)(=O)(O))C(=O)C1)C
InChI=1SC25H22N4O4c125(2)121720(18(30)1325)19(1481016(11914)29(32)33)2123(2617)2722(2824(21)31)156435715h31119H1213H212H3(H226272831)
MFCD18181295
O=C1CC(C)(C)CC2=C1C(c1ccc(cc1)(N+)(=O)(O))c1c(N2)nc((nH)c1=O)c1ccccc1
ZINC000044974120
ZINC000044974124

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Available files

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