Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL056370
SMILES CCOc1cc(ccc1OCCC(C)C)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CCC[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 C33H42N2O8 MW 594.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H42N2O8/c1-4-40-27-20-23(6-8-25(27)41-15-10-22(2)3)30-29(31(36)24-7-9-26-28(21-24)43-19-18-42-26)32(37)33(38)35(30)12-5-11-34-13-16-39-17-14-34/h6-9,20-22,30,36H,4-5,10-19H2,1-3H3/b31-29+InChIKey
GXUDADFTRKRDLQ-OWWNRXNESA-NSynonyms
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXY4(3METHYLBUTOXY)PHENYL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(2(3ethoxy4(3methylbutoxy)phenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(2(3ETHOXY4(3METHYLBUTOXY)PHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN5CCOCC5)OCCC(C)C
CCOc1cc(ccc1OCCC(C)C)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC33H42N2O8c1440272023(6825(27)41151022(2)3)3029(31(36)24792628(2124)4319184226)32(37)33(38)35(30)1251134131639171434h6920223036H451019H213H3b3129+
MFCD18249732
ZINC000102895812
ZINC000102895816
Check stock
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