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-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}methanolate
Catalog ID
STL054279
SMILES O=C1C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/[O-])/C(N1CC[NH+]1CCOCC1)c1ccc(cc1)C(C)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 C28H32N2O6 MW 492.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O6/c1-18(2)19-3-5-20(6-4-19)25-24(26(31)21-7-8-22-23(17-21)36-16-15-35-22)27(32)28(33)30(25)10-9-29-11-13-34-14-12-29/h3-8,17-18,25,31H,9-16H2,1-2H3/b26-24+InChIKey
HNVMUFRCZYONCS-SHHOIMCASA-NSynonyms
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(2MORPHOLIN4YLETHYL)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(1(2(morpholin4ium4yl)ethyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(1(2MORPHOLIN4IUM4YLETHYL)45DIOXO2(4PROPAN2YLPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
4(23DIHYDRO14BENZODIOXIN6YLCARBONYL)3HYDROXY5(4ISOPROPYLPHENYL)1(2(4MORPHOLINYL)ETHYL)15DIHYDRO2HPYRROL2ONE
CC(C)C1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCN5CCOCC5
InChI=1SC28H32N2O6c118(2)193520(6419)2524(26(31)21782223(1721)3616153522)27(32)28(33)30(25)10929111334141229h3817182531H916H212H3b2624+
MFCD18249596
O=C1C(=O)C(=C(c2ccc3c(c2)OCCO3)(O))C(N1CC(NH+)1CCOCC1)c1ccc(cc1)C(C)C
ZINC000102892204
ZINC000102892206
Check stock
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