Vitas-M small molecule compound

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

Catalog ID
STK563183
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)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 C24H29N3O5 MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N3O5/c1-6-32-24(31)19-14(2)17(15(3)25-19)21(28)18-20(16-10-8-7-9-11-16)27(13-12-26(4)5)23(30)22(18)29/h7-11,20,25,28H,6,12-13H2,1-5H3/b21-18+
InChIKey
KHVRBAZUTFQDEZ-DYTRJAOYSA-N
Synonyms
848214-62-0
(E)(1(2(dimethylammonio)ethyl)45dioxo2phenylpyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2PHENYLPYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
848214620
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccccc1)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=CC=CC=C3)O)C
ETHYL4((1(2(DIMETHYLAMINO)ETHYL)4HYDROXY5OXO2PHENYL(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
ethyl4((E)(1(2(dimethylamino)ethyl)45dioxo2phenylpyrrolidin3ylidene)hydroxymethyl)35dimethyl1Hpyrrole2carboxylate
ETHYL4((E)(1(2DIMETHYLAMINOETHYL)45DIOXO2PHENYLPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
ETHYL4((Z)(1(2DIMETHYLAMINOETHYL)45DIOXO2PHENYLPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC24H29N3O5c163224(31)1914(2)17(15(3)2519)21(28)1820(16108791116)27(131226(4)5)23(30)22(18)29h711202528H61213H215H3b2118+
MFCD18244233
ZINC000102518410
ZINC000102518419

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Available files

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