Vitas-M small molecule compound
(E)-[4-(benzyloxy)-2-methylphenyl]{2-(4-hydroxy-3-methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL040355
SMILES COc1cc(ccc1O)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)OCc1ccccc1)/[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 C33H36N2O7 MW 572.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H36N2O7/c1-22-19-25(42-21-23-7-4-3-5-8-23)10-11-26(22)31(37)29-30(24-9-12-27(36)28(20-24)40-2)35(33(39)32(29)38)14-6-13-34-15-17-41-18-16-34/h3-5,7-12,19-20,30,36-37H,6,13-18,21H2,1-2H3/b31-29+InChIKey
YNVUXCPSPBAPOJ-OWWNRXNESA-NSynonyms
(4E)5(4HYDROXY3METHOXYPHENYL)4(HYDROXY(2METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4HYDROXY3METHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)2methylphenyl)(2(4hydroxy3methoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCC(NH+)4CCOCC4)C5=CC(=C(C=C5)O)OC)(O)
COc1cc(ccc1O)C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccc(cc1C)OCc1ccccc1)(O)
InChI=1SC33H36N2O7c1221925(4221237435823)101126(22)31(37)2930(2491227(36)28(2024)402)35(33(39)32(29)38)1461334151741181634h357121920303637H6131821H212H3b3129+
MFCD18248017
ZINC000102866385
ZINC000102866386
Check stock
See real-time availability and sample size for STL040355 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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