Vitas-M small molecule compound

(E)-{2-(2,3-dimethoxyphenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate

Catalog ID
STL046319
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1OC)OC)CC[NH+](C)C)/[O-])C

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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 C26H33N3O7 MW 499.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N3O7/c1-8-36-26(33)20-14(2)18(15(3)27-20)22(30)19-21(16-10-9-11-17(34-6)24(16)35-7)29(13-12-28(4)5)25(32)23(19)31/h9-11,21,27,30H,8,12-13H2,1-7H3/b22-19+
InChIKey
GRILFZIGGKYGFD-ZBJSNUHESA-N
Synonyms
845663-59-4
(E)(2(23dimethoxyphenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(2(23DIMETHOXYPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
845663594
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1OC)OC)CC(NH+)(C)C)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=C(C(=CC=C3)OC)OC)O)C
ethyl4((E)(2(23dimethoxyphenyl)1(2(dimethylamino)ethyl)45dioxopyrrolidin3ylidene)hydroxymethyl)35dimethyl1Hpyrrole2carboxylate
ETHYL4((E)(2(23DIMETHOXYPHENYL)1(2DIMETHYLAMINOETHYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC26H33N3O7c183626(33)2014(2)18(15(3)2720)22(30)1921(161091117(346)24(16)357)29(131228(4)5)25(32)23(19)31h911212730H81213H217H3b2219+
MFCD18248825
ZINC000102879364
ZINC000102879366

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Available files

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