Vitas-M small molecule compound
(E)-{2-(furan-2-yl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}{4-[(3-methylbenzyl)oxy]phenyl}methanolate
Catalog ID
STL041406
SMILES Cc1cccc(c1)COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccco1)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 C29H30N2O6 MW 502.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O6/c1-20-4-2-5-21(18-20)19-37-23-9-7-22(8-10-23)27(32)25-26(24-6-3-15-36-24)31(29(34)28(25)33)12-11-30-13-16-35-17-14-30/h2-10,15,18,26,32H,11-14,16-17,19H2,1H3/b27-25+InChIKey
KRTCNFSOOWUKQI-IMVLJIQESA-NSynonyms
840460-88-0(4E)5(FURAN2YL)4(HYDROXY(4((3METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(furan2yl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(4((3methylbenzyl)oxy)phenyl)methanolate
(E)(2(FURAN2YL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4((3METHYLPHENYL)METHOXY)PHENYL)METHANOLATE
840460880
CC1=CC(=CC=C1)COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CCN4CCOCC4)C5=CC=CO5)O
Cc1cccc(c1)COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccco1)CC(NH+)1CCOCC1)(O)
InChI=1SC29H30N2O6c12042521(1820)1937239722(81023)27(32)2526(2463153624)31(29(34)28(25)33)121130131635171430h21015182632H1114161719H21H3b2725+
MFCD18248098
ZINC000102868314
ZINC000102868318
Check stock
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Check stock on Vitas-MAvailable files
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