Vitas-M small molecule compound

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

Catalog ID
STL150637
SMILES CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cc(OC)ccc1OC)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 C25H30N2O6 MW 454.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O6/c1-6-33-17-9-7-16(8-10-17)23(28)21-22(19-15-18(31-4)11-12-20(19)32-5)27(14-13-26(2)3)25(30)24(21)29/h7-12,15,22,28H,6,13-14H2,1-5H3/b23-21+
InChIKey
JWUPOYNUUZIJRT-XTQSDGFTSA-N
Synonyms
636989-46-3
(4E)5(25DIMETHOXYPHENYL)1(2DIMETHYLAMINOETHYL)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)PYRROLIDINE23DIONE
(4Z)5(25DIMETHOXYPHENYL)1(2DIMETHYLAMINOETHYL)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)PYRROLIDINE23DIONE
(E)(2(25dimethoxyphenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)(4ethoxyphenyl)methanolate
(E)(2(25DIMETHOXYPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4ETHOXYPHENYL)METHANOLATE
5(25DIMETHOXYPHENYL)1(2(DIMETHYLAMINO)ETHYL)4((4ETHOXYPHENYL)CARBONYL)3HYDROXY3PYRROLIN2ONE
636989463
CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)(C)C)C3=C(C=CC(=C3)OC)OC)(O)
CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cc(OC)ccc1OC)CC(NH+)(C)C)(O)
InChI=1SC25H30N2O6c1633179716(81017)23(28)2122(191518(314)111220(19)325)27(141326(2)3)25(30)24(21)29h712152228H61314H215H3b2321+
MFCD20755875
ZINC000102931524
ZINC000102931527

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Available files

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