Vitas-M small molecule compound

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

Catalog ID
STK597476
SMILES CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/[O-])/C1c1ccc(cc1)[N+](=O)[O-])CC

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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 C24H27N3O5 MW 437.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N3O5/c1-4-25(5-2)14-15-26-21(17-10-12-19(13-11-17)27(31)32)20(23(29)24(26)30)22(28)18-8-6-16(3)7-9-18/h6-13,21,28H,4-5,14-15H2,1-3H3/b22-20+
InChIKey
LJIRYUFNSCCBSG-LSDHQDQOSA-N
Synonyms
487023-84-7
(4E)1(2(diethylamino)ethyl)4(hydroxy(4methylphenyl)methylidene)5(4nitrophenyl)pyrrolidine23dione
(4E)1(2DIETHYLAMINOETHYL)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)5(4NITROPHENYL)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)2(4nitrophenyl)45dioxopyrrolidin3ylidene)(4methylphenyl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(4NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHYLPHENYL)METHANOLATE
487023847
CC(NH+)(CCN1C(=O)C(=O)C(=C(c2ccc(cc2)C)(O))C1c1ccc(cc1)(N+)(=O)(O))CC
CCN(CC)CCN1C(C(=C(C2=CC=C(C=C2)C)O)C(=O)C1=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC24H27N3O5c1425(52)14152621(17101219(131117)27(31)32)20(23(29)24(26)30)22(28)188616(3)7918h6132128H451415H213H3b2220+
MFCD18246064
ZINC000009374872
ZINC000009374876

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Available files

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