Vitas-M small molecule compound
(E)-(4-chlorophenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-[4-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}methanolate
Catalog ID
STL045835
SMILES C=CCOc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Cl)\[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/c1-2-16-35-22-10-6-19(7-11-22)24-23(25(31)20-4-8-21(28)9-5-20)26(32)27(33)30(24)13-3-12-29-14-17-34-18-15-29/h2,4-11,24,31H,1,3,12-18H2/b25-23+InChIKey
KBQTYQPHACZSST-WJTDDFOZSA-NSynonyms
616859-00-8(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(4PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
(E)(4chlorophenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(4(prop2en1yloxy)phenyl)pyrrolidin3ylidene)methanolate
(E)(4CHLOROPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2(4PROP2ENOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
4((4CHLOROPHENYL)CARBONYL)3HYDROXY1(3MORPHOLIN4YLPROPYL)5(4PROP2ENYLOXYPHENYL)3PYRROLIN2ONE
616859008
C=CCOC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C(=O)N2CCCN4CCOCC4
C=CCOc1ccc(cc1)C1C(=C(c2ccc(cc2)Cl)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC27H29ClN2O5c1216352210619(71122)2423(25(31)204821(28)9520)26(32)27(33)30(24)1331229141734181529h24112431H131218H2b2523+
MFCD18248722
ZINC000009042150
ZINC000009042158
Check stock
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Check stock on Vitas-MAvailable files
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