Vitas-M small molecule compound

7,7-dimethyl-5-(5-nitrofuran-2-yl)-1,5,6,7,8,10-hexahydropyrimido[4,5-b]quinoline-2,4,9(3H)-trione

Catalog ID
STK772680
SMILES O=C1CC(C)(C)CC2=C1Nc1[nH]c(=O)[nH]c(=O)c1C2c1ccc(o1)[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 C17H16N4O6 MW 372.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O6/c1-17(2)5-7-11(9-3-4-10(27-9)21(25)26)12-14(18-13(7)8(22)6-17)19-16(24)20-15(12)23/h3-4,11H,5-6H2,1-2H3,(H3,18,19,20,23,24)
InChIKey
FDVQVYZQAQUTFQ-UHFFFAOYSA-N
Synonyms

77dimethyl5(5nitrofuran2yl)1567810hexahydropyrimido(45b)quinoline249(3H)trione
77dimethyl5(5nitrofuran2yl)56810tetrahydro1Hpyrimido(45b)quinoline249trione
CC1(CC2=C(C(=O)C1)NC3=C(C2C4=CC=C(O4)(N+)(=O)(O))C(=O)NC(=O)N3)C
InChI=1SC17H16N4O6c117(2)5711(93410(279)21(25)26)1214(1813(7)8(22)617)1916(24)2015(12)23h3411H56H212H3(H31819202324)
MFCD03820578
O=C1CC(C)(C)CC2=C1Nc1(nH)c(=O)(nH)c(=O)c1C2c1ccc(o1)(N+)(=O)(O)
ZINC000100144895
ZINC000100144897

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Available files

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