Vitas-M small molecule compound

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

Catalog ID
STL148740
SMILES COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)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/c1-17-16-20(33-2)8-9-21(17)24(30)22-23(18-4-6-19(27)7-5-18)29(26(32)25(22)31)11-3-10-28-12-14-34-15-13-28/h4-9,16,23,30H,3,10-15H2,1-2H3/b24-22+
InChIKey
BYDGMONZBDYZRC-ZNTNEXAZSA-N
Synonyms
383903-52-4
(4E)5(4BROMOPHENYL)4(HYDROXY(4METHOXY2METHYLPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4bromophenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(4methoxy2methylphenyl)methanolate
(E)(2(4BROMOPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXY2METHYLPHENYL)METHANOLATE
383903524
CC1=C(C=CC(=C1)OC)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=C(C=C4)Br)O
COc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Br)CCC(NH+)1CCOCC1)(O)
InChI=1SC26H29BrN2O5c1171620(332)8921(17)24(30)2223(184619(27)7518)29(26(32)25(22)31)1131028121434151328h49162330H31015H212H3b2422+
MFCD20755464
ZINC000102927964
ZINC000102927967

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Available files

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