Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}methanolate
Catalog ID
STL051006
SMILES C=CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CC[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 C28H30N2O7 MW 506.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O7/c1-2-12-35-21-5-3-4-19(17-21)25-24(26(31)20-6-7-22-23(18-20)37-16-15-36-22)27(32)28(33)30(25)9-8-29-10-13-34-14-11-29/h2-7,17-18,25,31H,1,8-16H2/b26-24+InChIKey
FDCXLLONSVAFCP-SHHOIMCASA-NSynonyms
579443-54-2(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(2MORPHOLIN4YLETHYL)5(3PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(1(2(morpholin4ium4yl)ethyl)45dioxo2(3(prop2en1yloxy)phenyl)pyrrolidin3ylidene)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(1(2MORPHOLIN4IUM4YLETHYL)45DIOXO2(3PROP2ENOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
579443542
C=CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCN5CCOCC5
C=CCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC28H30N2O7c1212352153419(1721)2524(26(31)20672223(1820)3716153622)27(32)28(33)30(25)9829101334141129h2717182531H1816H2b2624+
MFCD18249367
ZINC000009244033
ZINC000009244034
Check stock
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Check stock on Vitas-MAvailable files
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