Vitas-M small molecule compound

(E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene}(4-methylphenyl)methanolate

Catalog ID
STL047831
SMILES CCCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1CC[NH+](CC)CC

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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 C27H34N2O4 MW 450.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O4/c1-5-17-33-22-10-8-9-21(18-22)24-23(25(30)20-13-11-19(4)12-14-20)26(31)27(32)29(24)16-15-28(6-2)7-3/h8-14,18,24,30H,5-7,15-17H2,1-4H3/b25-23+
InChIKey
BXNJAYFBHRMSPD-WJTDDFOZSA-N
Synonyms
613220-44-3
(4E)1(2DIETHYLAMINOETHYL)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)5(3PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)45dioxo2(3propoxyphenyl)pyrrolidin3ylidene)(4methylphenyl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXO2(3PROPOXYPHENYL)PYRROLIDIN3YLIDENE)(4METHYLPHENYL)METHANOLATE
1(2(DIETHYLAMINO)ETHYL)3HYDROXY4((4METHYLPHENYL)CARBONYL)5(3PROPOXYPHENYL)3PYRROLIN2ONE
613220443
CCCOC1=CC=CC(=C1)C2C(=C(C3=CC=C(C=C3)C)(O))C(=O)C(=O)N2CC(NH+)(CC)CC
CCCOc1cccc(c1)C1C(=C(c2ccc(cc2)C)(O))C(=O)C(=O)N1CC(NH+)(CC)CC
InChI=1SC27H34N2O4c15173322108921(1822)2423(25(30)20131119(4)121420)26(31)27(32)29(24)161528(62)73h814182430H571517H214H3b2523+
MFCD18249147
ZINC000009334185
ZINC000009353080

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.