Vitas-M small molecule compound

3-nitrobenzyl 4-methyl-3-(4-methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl)benzoate

Catalog ID
STL061968
SMILES O=C(c1ccc(c(c1)N1C(=O)c2c(C1=O)c(C)nc1c2cccc1)C)OCc1cccc(c1)[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 C27H19N3O6 MW 481.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19N3O6/c1-15-10-11-18(27(33)36-14-17-6-5-7-19(12-17)30(34)35)13-22(15)29-25(31)23-16(2)28-21-9-4-3-8-20(21)24(23)26(29)32/h3-13H,14H2,1-2H3
InChIKey
IRGMPHJOFPMHKL-UHFFFAOYSA-N
Synonyms
586993-93-3
(3NITROPHENYL)METHYL4METHYL3(4METHYL13DIOXOPYRROLO(34C)QUINOLIN2YL)BENZOATE
3nitrobenzyl4methyl3(4methyl13dioxo13dihydro2Hpyrrolo(34c)quinolin2yl)benzoate
3nitrobenzyl4methyl3(4methyl13dioxo1Hpyrrolo(34c)quinolin2(3H)yl)benzoate
586993933
CC1=C(C=C(C=C1)C(=O)OCC2=CC(=CC=C2)(N+)(=O)(O))N3C(=O)C4=C(C3=O)C5=CC=CC=C5N=C4C
InChI=1SC27H19N3O6c115101118(27(33)36141765719(1217)30(34)35)1322(15)2925(31)2316(2)2821943820(21)24(23)26(29)32h313H14H212H3
MFCD03880743
O=C(c1ccc(c(c1)N1C(=O)c2c(C1=O)c(C)nc1c2cccc1)C)OCc1cccc(c1)(N+)(=O)(O)
ZINC000013757841
ZINC13757841

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Available files

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