Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STL052066
SMILES CCOc1cc(ccc1OCCC(C)C)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CCC[NH+](CC)CC
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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 C33H44N2O7 MW 580.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H44N2O7/c1-6-34(7-2)15-9-16-35-30(23-10-12-25(27(20-23)39-8-3)40-17-14-22(4)5)29(32(37)33(35)38)31(36)24-11-13-26-28(21-24)42-19-18-41-26/h10-13,20-22,30,36H,6-9,14-19H2,1-5H3/b31-29+InChIKey
QFDHYYAYWYASKG-OWWNRXNESA-NSynonyms
(4E)1(3(DIETHYLAMINO)PROPYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXY4(3METHYLBUTOXY)PHENYL)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)2(3ethoxy4(3methylbutoxy)phenyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)2(3ETHOXY4(3METHYLBUTOXY)PHENYL)45DIOXOPYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
CC(NH+)(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)(O))C(=O)C1=O)C4=CC(=C(C=C4)OCCC(C)C)OCC
CCOc1cc(ccc1OCCC(C)C)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCC(NH+)(CC)CC
InChI=1SC33H44N2O7c1634(72)159163530(23101225(27(2023)3983)40171422(4)5)29(32(37)33(35)38)31(36)2411132628(2124)4219184126h101320223036H691419H215H3b3129+
MFCD18249437
ZINC000102889571
ZINC000102889574
Check stock
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