Vitas-M small molecule compound
(E)-(4-methoxyphenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-[4-(propan-2-yloxy)phenyl]pyrrolidin-3-ylidene}methanolate
Catalog ID
STL045578
SMILES COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)OC(C)C)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 C28H34N2O6 MW 494.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O6/c1-19(2)36-23-11-5-20(6-12-23)25-24(26(31)21-7-9-22(34-3)10-8-21)27(32)28(33)30(25)14-4-13-29-15-17-35-18-16-29/h5-12,19,25,31H,4,13-18H2,1-3H3/b26-24+InChIKey
IGUHMCSUWYYFSO-SHHOIMCASA-NSynonyms
615270-70-7(4E)4(HYDROXY(4METHOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(4PROPAN2YLOXYPHENYL)PYRROLIDINE23DIONE
(E)(4methoxyphenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(4(propan2yloxy)phenyl)pyrrolidin3ylidene)methanolate
(E)(4METHOXYPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2(4PROPAN2YLOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
3HYDROXY4((4METHOXYPHENYL)CARBONYL)5(4(METHYLETHOXY)PHENYL)1(3MORPHOLIN4YLPROPYL)3PYRROLIN2ONE
615270707
CC(C)OC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OC)(O))C(=O)C(=O)N2CCC(NH+)4CCOCC4
COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)OC(C)C)CCC(NH+)1CCOCC1)(O)
InChI=1SC28H34N2O6c119(2)362311520(61223)2524(26(31)217922(343)10821)27(32)28(33)30(25)1441329151735181629h512192531H41318H213H3b2624+
MFCD18248665
ZINC000009271233
ZINC000009271234
Check stock
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Check stock on Vitas-MAvailable files
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