Vitas-M small molecule compound

(E)-{2-(2-fluorophenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate

Catalog ID
STK566070
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)CC[NH+]1CCOCC1)/[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 C26H29FN2O5 MW 468.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29FN2O5/c1-2-15-34-19-9-7-18(8-10-19)24(30)22-23(20-5-3-4-6-21(20)27)29(26(32)25(22)31)12-11-28-13-16-33-17-14-28/h3-10,23,30H,2,11-17H2,1H3/b24-22+
InChIKey
YGRRIZDYBWXXMW-ZNTNEXAZSA-N
Synonyms
615276-42-1
(4E)5(2FLUOROPHENYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(4Z)5(2FLUOROPHENYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(2fluorophenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(4propoxyphenyl)methanolate
(E)(2(2FLUOROPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROPOXYPHENYL)METHANOLATE
5(2FLUOROPHENYL)3HYDROXY1(2MORPHOLIN4YLETHYL)4((4PROPOXYPHENYL)CARBONYL)3PYRROLIN2ONE
615276421
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC=CC=C4F)O
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccccc1F)CC(NH+)1CCOCC1)(O)
InChI=1SC26H29FN2O5c121534199718(81019)24(30)2223(20534621(20)27)29(26(32)25(22)31)121128131633171428h3102330H21117H21H3b2422+
MFCD18244934
ZINC000102539329
ZINC000102539339

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Available files

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