Vitas-M small molecule compound

(E)-[2-(3-nitrophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](phenyl)methanolate

Catalog ID
STL046655
SMILES [O-]/C(=C\1/C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])Cc1ccc[nH+]c1)/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 C23H17N3O5 MW 415.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O5/c27-21(16-7-2-1-3-8-16)19-20(17-9-4-10-18(12-17)26(30)31)25(23(29)22(19)28)14-15-6-5-11-24-13-15/h1-13,20,27H,14H2/b21-19+
InChIKey
MHHHGIKVIFNUMC-XUTLUUPISA-N
Synonyms

(4E)4(HYDROXY(PHENYL)METHYLIDENE)5(3NITROPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(3NITROPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)PHENYLMETHANOLATE
(E)(2(3nitrophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(phenyl)methanolate
(O)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))Cc1ccc(nH+)c1)c1ccccc1
4BENZOYL3HYDROXY5(3NITROPHENYL)1(PYRIDIN3YLMETHYL)1HPYRROL2(5H)ONE
C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC(=CC=C4)(N+)(=O)(O))(O)
InChI=1SC23H17N3O5c2721(167213816)1920(17941018(1217)26(30)31)25(23(29)22(19)28)14156511241315h1132027H14H2b2119+
MFCD18248898
ZINC000102881070
ZINC000102881073

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Available files

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