Vitas-M small molecule compound

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

Catalog ID
STK563347
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)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/c1-2-15-34-21-9-5-19(6-10-21)24(30)22-23(18-3-7-20(27)8-4-18)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
JQFGPBXCDCJWNT-ZNTNEXAZSA-N
Synonyms
615276-33-0
(4E)5(4FLUOROPHENYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(4Z)5(4FLUOROPHENYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(4fluorophenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(4propoxyphenyl)methanolate
(E)(2(4FLUOROPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROPOXYPHENYL)METHANOLATE
5(4FLUOROPHENYL)3HYDROXY1(2MORPHOLIN4YLETHYL)4((4PROPOXYPHENYL)CARBONYL)3PYRROLIN2ONE
615276330
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)3CCOCC3)C4=CC=C(C=C4)F)(O)
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)F)CC(NH+)1CCOCC1)(O)
InChI=1SC26H29FN2O5c121534219519(61021)24(30)2223(183720(27)8418)29(26(32)25(22)31)121128131633171428h3102330H21117H21H3b2422+
MFCD18244271
ZINC000102519707
ZINC000102519720

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Available files

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