Vitas-M small molecule compound
(E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(pyridin-4-yl)pyrrolidin-3-ylidene]{4-[(2-methylbenzyl)oxy]phenyl}methanolate
Catalog ID
STK564542
SMILES [O-]/C(=C\1/C(=O)C(=O)N(C1c1ccncc1)Cc1ccc[nH+]c1)/c1ccc(cc1)OCc1ccccc1C
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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 C30H25N3O4 MW 491.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N3O4/c1-20-5-2-3-7-24(20)19-37-25-10-8-23(9-11-25)28(34)26-27(22-12-15-31-16-13-22)33(30(36)29(26)35)18-21-6-4-14-32-17-21/h2-17,27,34H,18-19H2,1H3/b28-26+InChIKey
OAWGGMWGDOZBQK-BYCLXTJYSA-NSynonyms
587003-36-9(4E)4(HYDROXY(4((2METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)5PYRIDIN4YL1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(45DIOXO1(PYRIDIN1IUM3YLMETHYL)2PYRIDIN4YLPYRROLIDIN3YLIDENE)(4((2METHYLPHENYL)METHOXY)PHENYL)METHANOLATE
(E)(45dioxo1(pyridinium3ylmethyl)2(pyridin4yl)pyrrolidin3ylidene)(4((2methylbenzyl)oxy)phenyl)methanolate
(O)C(=C1C(=O)C(=O)N(C1c1ccncc1)Cc1ccc(nH+)c1)c1ccc(cc1)OCc1ccccc1C
587003369
CC1=CC=CC=C1COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CC4=C(NH+)=CC=C4)C5=CC=NC=C5)(O)
InChI=1SC30H25N3O4c120523724(20)19372510823(91125)28(34)2627(22121531161322)33(30(36)29(26)35)18216414321721h2172734H1819H21H3b2826+
MFCD18244561
ZINC000102528561
ZINC000102528566
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.