Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL054366
SMILES CCOc1cc(ccc1OCCC(C)C)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1Cc1cc[nH+]cc1
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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 C32H34N2O7 MW 558.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N2O7/c1-4-38-26-17-22(5-7-24(26)39-14-11-20(2)3)29-28(30(35)23-6-8-25-27(18-23)41-16-15-40-25)31(36)32(37)34(29)19-21-9-12-33-13-10-21/h5-10,12-13,17-18,20,29,35H,4,11,14-16,19H2,1-3H3/b30-28+InChIKey
CEMFFTXZNMFDBH-SJCQXOIGSA-NSynonyms
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXY4(3METHYLBUTOXY)PHENYL)1(PYRIDIN4YLMETHYL)PYRROLIDINE23DIONE
(E)23DIHYDRO14BENZODIOXIN6YL(2(3ETHOXY4(3METHYLBUTOXY)PHENYL)45DIOXO1(PYRIDIN1IUM4YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)23dihydro14benzodioxin6yl(2(3ethoxy4(3methylbutoxy)phenyl)45dioxo1(pyridinium4ylmethyl)pyrrolidin3ylidene)methanolate
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)(O))C(=O)C(=O)N2CC5=CC=(NH+)C=C5)OCCC(C)C
CCOc1cc(ccc1OCCC(C)C)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1Cc1cc(nH+)cc1
InChI=1SC32H34N2O7c1438261722(5724(26)39141120(2)3)2928(30(35)23682527(1823)4116154025)31(36)32(37)34(29)192191233131021h51012131718202935H411141619H213H3b3028+
MFCD18249600
ZINC000102893718
ZINC000102893722
Check stock
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