Vitas-M small molecule compound

4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,5-dinitrobenzoate

Catalog ID
STK103336
SMILES O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])Oc1cc2C(=CC(N3c2c(c1)C(=O)C3=O)(C)C)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 C21H15N3O8 MW 437.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N3O8/c1-10-9-21(2,3)22-17-15(10)7-14(8-16(17)18(25)19(22)26)32-20(27)11-4-12(23(28)29)6-13(5-11)24(30)31/h4-9H,1-3H3
InChIKey
NWOIBRDLQNAMNO-UHFFFAOYSA-N
Synonyms
524056-14-2
446TRIMETHYL12DIOXO12DIHYDRO4HPYRROLO(321IJ)QUINOLIN8YL35DINITROBENZOATE
446trimethyl12dioxo24dihydro1Hpyrrolo(321ij)quinolin8yl35dinitrobenzoate
524056142
CC1=CC(N2C3=C(C=C(C=C13)OC(=O)C4=CC(=CC(=C4)(N+)(=O)(O))(N+)(=O)(O))C(=O)C2=O)(C)C
InChI=1SC21H15N3O8c110921(23)221715(10)714(816(17)18(25)19(22)26)3220(27)11412(23(28)29)613(511)24(30)31h49H13H3
MFCD03615448
O=C(c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))Oc1cc2C(=CC(N3c2c(c1)C(=O)C3=O)(C)C)C
ZINC000002238959
ZINC02238959
ZINC2238959

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Available files

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