Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-[3-(3-methylbutoxy)phenyl]-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL049280
SMILES CC(CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1)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 C30H36N2O7 MW 536.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N2O7/c1-20(2)8-13-37-23-5-3-4-21(18-23)27-26(28(33)22-6-7-24-25(19-22)39-17-16-38-24)29(34)30(35)32(27)10-9-31-11-14-36-15-12-31/h3-7,18-20,27,33H,8-17H2,1-2H3/b28-26+InChIKey
PARMEYZBCNTYCG-BYCLXTJYSA-NSynonyms
577998-98-2(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3(3METHYLBUTOXY)PHENYL)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(2(3(3methylbutoxy)phenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(2(3(3METHYLBUTOXY)PHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
577998982
CC(C)CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCN5CCOCC5
CC(CCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1)C
InChI=1SC30H36N2O7c120(2)813372353421(1823)2726(28(33)22672425(1922)3917163824)29(34)30(35)32(27)10931111436151231h3718202733H817H212H3b2826+
MFCD18249256
ZINC000102076867
ZINC000102076870
Check stock
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