Vitas-M small molecule compound
7'-nitro-2,6-dioxo-1,1',2',3',3a',6-hexahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinolinium]-4-olate
Catalog ID
STL055969
SMILES O=C1NC(=O)C2(C(=N1)[O-])Cc1cc(ccc1[NH+]1C2CCC1)[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 C15H14N4O5 MW 330.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14N4O5/c20-12-15(13(21)17-14(22)16-12)7-8-6-9(19(23)24)3-4-10(8)18-5-1-2-11(15)18/h3-4,6,11H,1-2,5,7H2,(H2,16,17,20,21,22)InChIKey
RSTOVVNINQUSFV-UHFFFAOYSA-NSynonyms
877783-01-27nitro26dioxo11233a6hexahydro2H5Hspiro(pyrimidine54pyrrolo(12a)quinolinium)4olate
7nitro46dioxospiro(1233a510hexahydropyrrolo(12a)quinolin10ium451Hpyrimidine)2olate
877783012
C1CC2C3(CC4=C((NH+)2C1)C=CC(=C4)(N+)(=O)(O))C(=O)NC(=NC3=O)(O)
InChI=1SC15H14N4O5c201215(13(21)1714(22)1612)7869(19(23)24)3410(8)1851211(15)18h34611H1257H2(H21617202122)
MFCD18249711
O=C1NC(=O)C2(C(=N1)(O))Cc1cc(ccc1(NH+)1C2CCC1)(N+)(=O)(O)
ZINC000009476949
ZINC000018140911
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