Vitas-M small molecule compound
(E)-{2-(2,4-dichlorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-2-methylphenyl)methanolate
Catalog ID
STL043581
SMILES COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1Cl)Cl)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 C26H28Cl2N2O5 MW 519.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28Cl2N2O5/c1-16-14-18(34-2)5-7-19(16)24(31)22-23(20-6-4-17(27)15-21(20)28)30(26(33)25(22)32)9-3-8-29-10-12-35-13-11-29/h4-7,14-15,23,31H,3,8-13H2,1-2H3/b24-22+InChIKey
BUVOTWQFYUZDSP-ZNTNEXAZSA-NSynonyms
371208-38-7(4E)5(24DICHLOROPHENYL)4(HYDROXY(4METHOXY2METHYLPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(24dichlorophenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(4methoxy2methylphenyl)methanolate
(E)(2(24DICHLOROPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXY2METHYLPHENYL)METHANOLATE
371208387
CC1=C(C=CC(=C1)OC)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=C(C=C(C=C4)Cl)Cl)O
COc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1Cl)Cl)CCC(NH+)1CCOCC1)(O)
InChI=1SC26H28Cl2N2O5c1161418(342)5719(16)24(31)2223(206417(27)1521(20)28)30(26(33)25(22)32)93829101235131129h4714152331H3813H212H3b2422+
MFCD18248240
ZINC000102873328
ZINC000102873329
Check stock
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Check stock on Vitas-MAvailable files
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