Vitas-M small molecule compound
(E)-(3-methoxyphenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}methanolate
Catalog ID
STK560941
SMILES COc1cccc(c1)/C(=C\1/C(c2ccc(cc2)C(C)C)N(C(=O)C1=O)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 C28H34N2O5 MW 478.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O5/c1-19(2)20-8-10-21(11-9-20)25-24(26(31)22-6-4-7-23(18-22)34-3)27(32)28(33)30(25)13-5-12-29-14-16-35-17-15-29/h4,6-11,18-19,25,31H,5,12-17H2,1-3H3/b26-24+InChIKey
KEGMQZVKAWCVQU-SHHOIMCASA-NSynonyms
608505-74-4(4E)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
(E)(3methoxyphenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)methanolate
(E)(3METHOXYPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2(4PROPAN2YLPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
3HYDROXY4((3METHOXYPHENYL)CARBONYL)5(4(METHYLETHYL)PHENYL)1(3MORPHOLIN4YLPROPYL)3PYRROLIN2ONE
608505744
CC(C)C1=CC=C(C=C1)C2C(=C(C3=CC(=CC=C3)OC)O)C(=O)C(=O)N2CCCN4CCOCC4
COc1cccc(c1)C(=C1C(c2ccc(cc2)C(C)C)N(C(=O)C1=O)CCC(NH+)1CCOCC1)(O)
InChI=1SC28H34N2O5c119(2)2081021(11920)2524(26(31)2264723(1822)343)27(32)28(33)30(25)1351229141635171529h461118192531H51217H213H3b2624+
MFCD18243669
ZINC000008919918
ZINC000008919923
Check stock
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Check stock on Vitas-MAvailable files
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