Vitas-M small molecule compound

(E)-{2-(3-bromophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-3-methylphenyl)methanolate

Catalog ID
STK560683
SMILES COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Br)CCC[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 C26H29BrN2O5 MW 529.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29BrN2O5/c1-17-15-19(7-8-21(17)33-2)24(30)22-23(18-5-3-6-20(27)16-18)29(26(32)25(22)31)10-4-9-28-11-13-34-14-12-28/h3,5-8,15-16,23,30H,4,9-14H2,1-2H3/b24-22+
InChIKey
XGAURGVYSYUXFO-ZNTNEXAZSA-N
Synonyms
497228-85-0
(4E)5(3BROMOPHENYL)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(3bromophenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
(E)(2(3BROMOPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
497228850
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC(=CC=C4)Br)O)OC
COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Br)CCC(NH+)1CCOCC1)(O)
InChI=1SC26H29BrN2O5c1171519(7821(17)332)24(30)2223(1853620(27)1618)29(26(32)25(22)31)104928111334141228h35815162330H4914H212H3b2422+
MFCD18243600
ZINC000102498003
ZINC000102498011

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Available files

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