Vitas-M small molecule compound
(E)-(4-methoxy-3-methylphenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(3-phenoxyphenyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL044636
SMILES COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)CCC[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 C32H34N2O6 MW 542.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N2O6/c1-22-20-24(12-13-27(22)38-2)30(35)28-29(23-8-6-11-26(21-23)40-25-9-4-3-5-10-25)34(32(37)31(28)36)15-7-14-33-16-18-39-19-17-33/h3-6,8-13,20-21,29,35H,7,14-19H2,1-2H3/b30-28+InChIKey
QJMQFIVRKUVZBU-SJCQXOIGSA-NSynonyms
488795-99-9(4E)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(3PHENOXYPHENYL)PYRROLIDINE23DIONE
(E)(4methoxy3methylphenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(3phenoxyphenyl)pyrrolidin3ylidene)methanolate
(E)(4METHOXY3METHYLPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2(3PHENOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
488795999
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC(=CC=C4)OC5=CC=CC=C5)(O))OC
COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)CCC(NH+)1CCOCC1)(O)
InChI=1SC32H34N2O6c1222024(121327(22)382)30(35)2829(23861126(2123)402594351025)34(32(37)31(28)36)1571433161839191733h3681320212935H71419H212H3b3028+
MFCD18248455
ZINC000102875613
ZINC000102875615
Check stock
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Check stock on Vitas-MAvailable files
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