Vitas-M small molecule compound

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

Catalog ID
STK559117
SMILES COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])CCC[NH+](CC)CC)/[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 C25H29N3O6 MW 467.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O6/c1-4-26(5-2)14-7-15-27-22(18-8-6-9-19(16-18)28(32)33)21(24(30)25(27)31)23(29)17-10-12-20(34-3)13-11-17/h6,8-13,16,22,29H,4-5,7,14-15H2,1-3H3/b23-21+
InChIKey
KSGMPZXOJDVNCW-XTQSDGFTSA-N
Synonyms
636989-49-6
(4E)1(3(DIETHYLAMINO)PROPYL)4(HYDROXY(4METHOXYPHENYL)METHYLIDENE)5(3NITROPHENYL)PYRROLIDINE23DIONE
(4Z)1(3(DIETHYLAMINO)PROPYL)4(HYDROXY(4METHOXYPHENYL)METHYLIDENE)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)(4methoxyphenyl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXYPHENYL)METHANOLATE
1(3(DIETHYLAMINO)PROPYL)3HYDROXY4((4METHOXYPHENYL)CARBONYL)5(3NITROPHENYL)3PYRROLIN2ONE
636989496
CCN(CC)CCCN1C(C(=C(C2=CC=C(C=C2)OC)O)C(=O)C1=O)C3=CC(=CC=C3)(N+)(=O)(O)
COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))CCC(NH+)(CC)CC)(O)
InChI=1SC25H29N3O6c1426(52)147152722(1886919(1618)28(32)33)21(24(30)25(27)31)23(29)17101220(343)131117h6813162229H4571415H213H3b2321+
MFCD18243197
ZINC000009008165
ZINC000009068032

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Available files

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