Vitas-M small molecule compound

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

Catalog ID
STK564720
SMILES COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])CCC[NH+]1CCOCC1)/[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 C25H27N3O7 MW 481.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O7/c1-34-20-9-5-18(6-10-20)23(29)21-22(17-3-7-19(8-4-17)28(32)33)27(25(31)24(21)30)12-2-11-26-13-15-35-16-14-26/h3-10,22,29H,2,11-16H2,1H3/b23-21+
InChIKey
PAWILSIDQQCFKC-XTQSDGFTSA-N
Synonyms
488801-48-5
(4E)4(HYDROXY(4METHOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(4NITROPHENYL)PYRROLIDINE23DIONE
(E)(4methoxyphenyl)(1(3(morpholin4ium4yl)propyl)2(4nitrophenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4METHOXYPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)2(4NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
488801485
COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC=C(C=C4)(N+)(=O)(O))(O)
COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)(N+)(=O)(O))CCC(NH+)1CCOCC1)(O)
InChI=1SC25H27N3O7c134209518(61020)23(29)2122(173719(8417)28(32)33)27(25(31)24(21)30)1221126131535161426h3102229H21116H21H3b2321+
MFCD18244597
ZINC000102529771
ZINC000102529781

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Available files

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