Vitas-M small molecule compound
(E)-{2-(4-hydroxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}{4-[(2-methylbenzyl)oxy]phenyl}methanolate
Catalog ID
STK562815
SMILES Oc1ccc(cc1)C1N(CCC[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 C32H34N2O6 MW 542.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N2O6/c1-22-5-2-3-6-25(22)21-40-27-13-9-24(10-14-27)30(36)28-29(23-7-11-26(35)12-8-23)34(32(38)31(28)37)16-4-15-33-17-19-39-20-18-33/h2-3,5-14,29,35-36H,4,15-21H2,1H3/b30-28+InChIKey
STMRMQOXQBJWIA-SJCQXOIGSA-NSynonyms
843634-36-6(4E)4(HYDROXY(4((2METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)5(4HYDROXYPHENYL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4hydroxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(4((2methylbenzyl)oxy)phenyl)methanolate
(E)(2(4HYDROXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4((2METHYLPHENYL)METHOXY)PHENYL)METHANOLATE
843634366
CC1=CC=CC=C1COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CCC(NH+)4CCOCC4)C5=CC=C(C=C5)O)(O)
InChI=1SC32H34N2O6c122523625(22)21402713924(101427)30(36)2829(2371126(35)12823)34(32(38)31(28)37)1641533171939201833h23514293536H41521H21H3b3028+
MFCD18244134
Oc1ccc(cc1)C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccc(cc1)OCc1ccccc1C)(O)
ZINC000102515721
ZINC000102515733
Check stock
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Check stock on Vitas-MAvailable files
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