Vitas-M small molecule compound
(E)-[4-(benzyloxy)-3-methylphenyl]{2-(3-bromophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL047125
SMILES Brc1cccc(c1)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)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 C32H33BrN2O5 MW 605.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33BrN2O5/c1-22-19-25(11-12-27(22)40-21-23-7-3-2-4-8-23)30(36)28-29(24-9-5-10-26(33)20-24)35(32(38)31(28)37)14-6-13-34-15-17-39-18-16-34/h2-5,7-12,19-20,29,36H,6,13-18,21H2,1H3/b30-28+InChIKey
HTFHKLCZQXKMMI-SJCQXOIGSA-NSynonyms
(4E)5(3BROMOPHENYL)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(3BROMOPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)3methylphenyl)(2(3bromophenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
Brc1cccc(c1)C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccc(c(c1)C)OCc1ccccc1)(O)
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC(=CC=C4)Br)(O))OCC5=CC=CC=C5
InChI=1SC32H33BrN2O5c1221925(111227(22)4021237324823)30(36)2829(24951026(33)2024)35(32(38)31(28)37)1461334151739181634h2571219202936H6131821H21H3b3028+
MFCD18248998
ZINC000101101124
ZINC000101101125
Check stock
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Check stock on Vitas-MAvailable files
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