Vitas-M small molecule compound

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

Catalog ID
STL045279
SMILES CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/[O-])/C1c1ccc(cc1)C(C)C)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 C27H34N2O3 MW 434.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O3/c1-6-28(7-2)16-17-29-24(21-14-12-20(13-15-21)18(3)4)23(26(31)27(29)32)25(30)22-10-8-19(5)9-11-22/h8-15,18,24,30H,6-7,16-17H2,1-5H3/b25-23+
InChIKey
JRZJLIIWTKBYAX-WJTDDFOZSA-N
Synonyms
615274-20-9
(4E)1(2(diethylamino)ethyl)4(hydroxy(4methylphenyl)methylidene)5(4propan2ylphenyl)pyrrolidine23dione
(4E)1(2DIETHYLAMINOETHYL)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)(4methylphenyl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXO2(4PROPAN2YLPHENYL)PYRROLIDIN3YLIDENE)(4METHYLPHENYL)METHANOLATE
1(2(DIETHYLAMINO)ETHYL)3HYDROXY5(4(METHYLETHYL)PHENYL)4((4METHYLPHENYL)CARBONYL)3PYRROLIN2ONE
615274209
CC(NH+)(CCN1C(=O)C(=O)C(=C(c2ccc(cc2)C)(O))C1c1ccc(cc1)C(C)C)CC
CCN(CC)CCN1C(C(=C(C2=CC=C(C=C2)C)O)C(=O)C1=O)C3=CC=C(C=C3)C(C)C
InChI=1SC27H34N2O3c1628(72)16172924(21141220(131521)18(3)4)23(26(31)27(29)32)25(30)2210819(5)91122h815182430H671617H215H3b2523+
MFCD18248604
ZINC000009185036
ZINC000009185038

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Available files

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