Vitas-M small molecule compound

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

Catalog ID
STL151193
SMILES COc1cccc(c1)/C(=C\1/C(c2ccc(cc2)C)N(C(=O)C1=O)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 C26H30N2O5 MW 450.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O5/c1-18-7-9-19(10-8-18)23-22(24(29)20-5-3-6-21(17-20)32-2)25(30)26(31)28(23)12-4-11-27-13-15-33-16-14-27/h3,5-10,17,23,29H,4,11-16H2,1-2H3/b24-22+
InChIKey
JBJFUXIVQAYCID-ZNTNEXAZSA-N
Synonyms

(4E)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)5(4METHYLPHENYL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(3methoxyphenyl)(2(4methylphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(3METHOXYPHENYL)(2(4METHYLPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
CC1=CC=C(C=C1)C2C(=C(C3=CC(=CC=C3)OC)(O))C(=O)C(=O)N2CCC(NH+)4CCOCC4
COc1cccc(c1)C(=C1C(c2ccc(cc2)C)N(C(=O)C1=O)CCC(NH+)1CCOCC1)(O)
InChI=1SC26H30N2O5c1187919(10818)2322(24(29)2053621(1720)322)25(30)26(31)28(23)1241127131533161427h3510172329H41116H212H3b2422+
MFCD20755997
ZINC000009043380
ZINC000009043383

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Available files

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