Vitas-M small molecule compound

(E)-{2-(4-tert-butylphenyl)-1-[2-(diethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(4-fluorophenyl)methanolate

Catalog ID
STL149501
SMILES CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)F)/[O-])/C1c1ccc(cc1)C(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 C27H33FN2O3 MW 452.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33FN2O3/c1-6-29(7-2)16-17-30-23(18-8-12-20(13-9-18)27(3,4)5)22(25(32)26(30)33)24(31)19-10-14-21(28)15-11-19/h8-15,23,31H,6-7,16-17H2,1-5H3/b24-22+
InChIKey
CWNGFWBRAHCGPT-ZNTNEXAZSA-N
Synonyms
615277-35-5
(4E)5(4TERTBUTYLPHENYL)1(2DIETHYLAMINOETHYL)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)PYRROLIDINE23DIONE
(E)(2(4tertbutylphenyl)1(2(diethylammonio)ethyl)45dioxopyrrolidin3ylidene)(4fluorophenyl)methanolate
(E)(2(4TERTBUTYLPHENYL)1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4FLUOROPHENYL)METHANOLATE
1(2(DIETHYLAMINO)ETHYL)5(4(TERTBUTYL)PHENYL)4((4FLUOROPHENYL)CARBONYL)3HYDROXY3PYRROLIN2ONE
615277355
CC(NH+)(CC)CCN1C(C(=C(C2=CC=C(C=C2)F)(O))C(=O)C1=O)C3=CC=C(C=C3)C(C)(C)C
CC(NH+)(CCN1C(=O)C(=O)C(=C(c2ccc(cc2)F)(O))C1c1ccc(cc1)C(C)(C)C)CC
InChI=1SC27H33FN2O3c1629(72)16173023(1881220(13918)27(34)5)22(25(32)26(30)33)24(31)19101421(28)151119h8152331H671617H215H3b2422+
MFCD20755616
ZINC000009007569
ZINC000009007570

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Available files

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