Vitas-M small molecule compound

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

Catalog ID
STK564698
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])CCC[NH+](C)C)/[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/c1-4-16-34-20-12-8-18(9-13-20)23(29)21-22(17-6-10-19(11-7-17)28(32)33)27(25(31)24(21)30)15-5-14-26(2)3/h6-13,22,29H,4-5,14-16H2,1-3H3/b23-21+
InChIKey
WCOBDDSQLRQGED-XTQSDGFTSA-N
Synonyms
615275-90-6
(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)5(4NITROPHENYL)PYRROLIDINE23DIONE
(4Z)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)5(4NITROPHENYL)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(4nitrophenyl)45dioxopyrrolidin3ylidene)(4propoxyphenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROPOXYPHENYL)METHANOLATE
1(3(DIMETHYLAMINO)PROPYL)3HYDROXY5(4NITROPHENYL)4((4PROPOXYPHENYL)CARBONYL)3PYRROLIN2ONE
615275906
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC=C(C=C3)(N+)(=O)(O))(O)
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)(N+)(=O)(O))CCC(NH+)(C)C)(O)
InChI=1SC25H29N3O6c1416342012818(91320)23(29)2122(1761019(11717)28(32)33)27(25(31)24(21)30)1551426(2)3h6132229H451416H213H3b2321+
MFCD18244593
ZINC000102529590
ZINC000102529599

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Available files

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