Vitas-M small molecule compound
(E)-{2-(4-hydroxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}{4-[(2-methylbenzyl)oxy]phenyl}methanolate
Catalog ID
STK561566
SMILES Oc1ccc(cc1)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCc1ccccc1C)/[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 C31H32N2O6 MW 528.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O6/c1-21-4-2-3-5-24(21)20-39-26-12-8-23(9-13-26)29(35)27-28(22-6-10-25(34)11-7-22)33(31(37)30(27)36)15-14-32-16-18-38-19-17-32/h2-13,28,34-35H,14-20H2,1H3/b29-27+InChIKey
JEKLXHSWCWTAMO-ORIPQNMZSA-NSynonyms
843626-41-5(4E)4(HYDROXY(4((2METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)5(4HYDROXYPHENYL)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(4hydroxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(4((2methylbenzyl)oxy)phenyl)methanolate
(E)(2(4HYDROXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4((2METHYLPHENYL)METHOXY)PHENYL)METHANOLATE
843626415
CC1=CC=CC=C1COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CC(NH+)4CCOCC4)C5=CC=C(C=C5)O)(O)
InChI=1SC31H32N2O6c121423524(21)20392612823(91326)29(35)2728(2261025(34)11722)33(31(37)30(27)36)151432161838191732h213283435H1420H21H3b2927+
MFCD18243825
Oc1ccc(cc1)C1N(CC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccc(cc1)OCc1ccccc1C)(O)
ZINC000102505056
ZINC000102505067
Check stock
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Check stock on Vitas-MAvailable files
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