Vitas-M small molecule compound
(E)-{2-[3-(benzyloxy)phenyl]-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STL047401
SMILES [O-]/C(=C\1/C(=O)C(=O)N(C1c1cccc(c1)OCc1ccccc1)CCC[NH+]1CCOCC1)/c1ccc2c(c1)OCCO2
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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 C33H34N2O7 MW 570.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34N2O7/c36-31(25-10-11-27-28(21-25)41-19-18-40-27)29-30(24-8-4-9-26(20-24)42-22-23-6-2-1-3-7-23)35(33(38)32(29)37)13-5-12-34-14-16-39-17-15-34/h1-4,6-11,20-21,30,36H,5,12-19,22H2/b31-29+InChIKey
OWYYVOJFCGEUFG-OWWNRXNESA-NSynonyms
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(3PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(2(3(benzyloxy)phenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2(3PHENYLMETHOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
(O)C(=C1C(=O)C(=O)N(C1c1cccc(c1)OCc1ccccc1)CCC(NH+)1CCOCC1)c1ccc2c(c1)OCCO2
C1COCC(NH+)1CCCN2C(C(=C(C3=CC4=C(C=C3)OCCO4)(O))C(=O)C2=O)C5=CC(=CC=C5)OCC6=CC=CC=C6
InChI=1SC33H34N2O7c3631(2510112728(2125)4119184027)2930(2484926(2024)4222236213723)35(33(38)32(29)37)1351234141639171534h1461120213036H5121922H2b3129+
MFCD18249062
ZINC000102882667
ZINC000102882668
Check stock
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