Vitas-M small molecule compound

(E)-(3-chloro-4-ethoxyphenyl){1-[3-(diethylammonio)propyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}methanolate

Catalog ID
STL044651
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CCC[NH+](CC)CC)/[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 C29H37ClN2O4 MW 513.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37ClN2O4/c1-6-31(7-2)16-9-17-32-26(21-12-10-20(11-13-21)19(4)5)25(28(34)29(32)35)27(33)22-14-15-24(36-8-3)23(30)18-22/h10-15,18-19,26,33H,6-9,16-17H2,1-5H3/b27-25+
InChIKey
PKQSAHSPGZDXHS-IMVLJIQESA-N
Synonyms
615278-75-6
(4E)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIETHYLAMINO)PROPYL)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
(E)(3chloro4ethoxyphenyl)(1(3(diethylammonio)propyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)methanolate
(E)(3CHLORO4ETHOXYPHENYL)(1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXO2(4PROPAN2YLPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
1(3(DIETHYLAMINO)PROPYL)4((3CHLORO4ETHOXYPHENYL)CARBONYL)3HYDROXY5(4(METHYLETHYL)PHENYL)3PYRROLIN2ONE
615278756
CC(NH+)(CC)CCCN1C(C(=C(C2=CC(=C(C=C2)OCC)Cl)(O))C(=O)C1=O)C3=CC=C(C=C3)C(C)C
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CCC(NH+)(CC)CC)(O)
InChI=1SC29H37ClN2O4c1631(72)169173226(21121020(111321)19(4)5)25(28(34)29(32)35)27(33)22141524(3683)23(30)1822h101518192633H691617H215H3b2725+
MFCD18248461
ZINC000008985918
ZINC000008985926

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Available files

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