Vitas-M small molecule compound
(E)-{2-(3-chlorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STK563113
SMILES Clc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1
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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 C27H29ClN2O5 MW 496.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29ClN2O5/c1-17-14-20-15-19(6-7-22(20)35-17)25(31)23-24(18-4-2-5-21(28)16-18)30(27(33)26(23)32)9-3-8-29-10-12-34-13-11-29/h2,4-7,15-17,24,31H,3,8-14H2,1H3/b25-23+InChIKey
GEZOEGAIXJRDLG-WJTDDFOZSA-NSynonyms
(4E)5(3CHLOROPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(3chlorophenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(3CHLOROPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCC(NH+)4CCOCC4)C5=CC(=CC=C5)Cl)(O)
Clc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC27H29ClN2O5c11714201519(6722(20)3517)25(31)2324(1842521(28)1618)30(27(33)26(23)32)93829101234131129h24715172431H3814H21H3b2523+
MFCD18244216
ZINC000102517931
ZINC000102646179
Check stock
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Check stock on Vitas-MAvailable files
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