Vitas-M small molecule compound

(E)-{1-[2-(dimethylammonio)ethyl]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-3-methylphenyl)methanolate

Catalog ID
STL040252
SMILES COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)CC[NH+](C)C)/[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 C23H25FN2O4 MW 412.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25FN2O4/c1-14-13-16(7-10-18(14)30-4)21(27)19-20(15-5-8-17(24)9-6-15)26(12-11-25(2)3)23(29)22(19)28/h5-10,13,20,27H,11-12H2,1-4H3/b21-19+
InChIKey
AXBZPGMXCLMLJO-XUTLUUPISA-N
Synonyms
460045-83-4
(4E)1(2DIMETHYLAMINOETHYL)5(4FLUOROPHENYL)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)2(4fluorophenyl)45dioxopyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(4FLUOROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
460045834
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)(C)C)C3=CC=C(C=C3)F)(O))OC
COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)F)CC(NH+)(C)C)(O)
InChI=1SC23H25FN2O4c1141316(71018(14)304)21(27)1920(155817(24)9615)26(121125(2)3)23(29)22(19)28h510132027H1112H214H3b2119+
MFCD18247993
ZINC000102866717
ZINC000102866721

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Available files

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