Vitas-M small molecule compound

(E)-{1-[3-(morpholin-4-ium-4-yl)propyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(phenyl)methanolate

Catalog ID
STK563191
SMILES O=C1C(=O)/C(=C(\c2ccccc2)/[O-])/C(N1CCC[NH+]1CCOCC1)c1ccc(cc1)[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 C24H25N3O6 MW 451.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O6/c28-22(18-5-2-1-3-6-18)20-21(17-7-9-19(10-8-17)27(31)32)26(24(30)23(20)29)12-4-11-25-13-15-33-16-14-25/h1-3,5-10,21,28H,4,11-16H2/b22-20+
InChIKey
SPWOURGDNUQAPU-LSDHQDQOSA-N
Synonyms

(4E)4(HYDROXY(PHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(4NITROPHENYL)PYRROLIDINE23DIONE
(E)(1(3(morpholin4ium4yl)propyl)2(4nitrophenyl)45dioxopyrrolidin3ylidene)(phenyl)methanolate
(E)(1(3MORPHOLIN4IUM4YLPROPYL)2(4NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)PHENYLMETHANOLATE
C1COCC(NH+)1CCCN2C(C(=C(C3=CC=CC=C3)(O))C(=O)C2=O)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC24H25N3O6c2822(185213618)2021(177919(10817)27(31)32)26(24(30)23(20)29)1241125131533161425h135102128H41116H2b2220+
MFCD18244236
O=C1C(=O)C(=C(c2ccccc2)(O))C(N1CCC(NH+)1CCOCC1)c1ccc(cc1)(N+)(=O)(O)
ZINC000102518514
ZINC000102518525

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Available files

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