Vitas-M small molecule compound
(E)-{2-(4-methylphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STK564561
SMILES CC(Oc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)CC[NH+]1CCOCC1)/[O-])C
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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 C27H32N2O5 MW 464.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O5/c1-18(2)34-22-10-8-21(9-11-22)25(30)23-24(20-6-4-19(3)5-7-20)29(27(32)26(23)31)13-12-28-14-16-33-17-15-28/h4-11,18,24,30H,12-17H2,1-3H3/b25-23+InChIKey
PCOJLRFOSPAFBR-WJTDDFOZSA-NSynonyms
(E)(2(4methylphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
CC(Oc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C)CC(NH+)1CCOCC1)(O))C
CC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OC(C)C)O)C(=O)C(=O)N2CCN4CCOCC4
InChI=1SC27H32N2O5c118(2)342210821(91122)25(30)2324(206419(3)5720)29(27(32)26(23)31)131228141633171528h411182430H1217H213H3b2523+
MFCD08735080
ZINC000102368689
ZINC000102368691
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