Vitas-M small molecule compound

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

Catalog ID
STK559418
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])CC[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 C24H27N3O6 MW 453.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N3O6/c1-4-14-33-19-10-8-16(9-11-19)22(28)20-21(17-6-5-7-18(15-17)27(31)32)26(13-12-25(2)3)24(30)23(20)29/h5-11,15,21,28H,4,12-14H2,1-3H3/b22-20+
InChIKey
FACPATDWNIBCQS-LSDHQDQOSA-N
Synonyms
615276-69-2
(4E)1(2DIMETHYLAMINOETHYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)5(3NITROPHENYL)PYRROLIDINE23DIONE
(4Z)1(2DIMETHYLAMINOETHYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)(4propoxyphenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROPOXYPHENYL)METHANOLATE
1(2(DIMETHYLAMINO)ETHYL)3HYDROXY5(3NITROPHENYL)4((4PROPOXYPHENYL)CARBONYL)3PYRROLIN2ONE
615276692
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)(C)C)C3=CC(=CC=C3)(N+)(=O)(O))(O)
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))CC(NH+)(C)C)(O)
InChI=1SC24H27N3O6c1414331910816(91119)22(28)2021(1765718(1517)27(31)32)26(131225(2)3)24(30)23(20)29h511152128H41214H213H3b2220+
MFCD18243261
ZINC000102486924
ZINC000102486934

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Available files

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