Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-[3-(pentyloxy)phenyl]pyrrolidin-3-ylidene}methanolate
Catalog ID
STL048717
SMILES CCCCCOc1cccc(c1)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 C31H38N2O7 MW 550.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H38N2O7/c1-2-3-4-15-38-24-8-5-7-22(20-24)28-27(29(34)23-9-10-25-26(21-23)40-19-18-39-25)30(35)31(36)33(28)12-6-11-32-13-16-37-17-14-32/h5,7-10,20-21,28,34H,2-4,6,11-19H2,1H3/b29-27+InChIKey
DWIHRXBXHQAOKN-ORIPQNMZSA-NSynonyms
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(3PENTOXYPHENYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(1(3(morpholin4ium4yl)propyl)45dioxo2(3(pentyloxy)phenyl)pyrrolidin3ylidene)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2(3PENTOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
CCCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN5CCOCC5
CCCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC31H38N2O7c123415382485722(2024)2827(29(34)239102526(2123)4019183925)30(35)31(36)33(28)1261132131637171432h571020212834H2461119H21H3b2927+
MFCD18249220
ZINC000102884514
ZINC000102884515
Check stock
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Check stock on Vitas-MAvailable files
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