Vitas-M small molecule compound
(E)-{2-(4-butoxy-3-methoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STL050390
SMILES CCCCOc1ccc(cc1OC)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1
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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 C30H33N3O7 MW 547.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N3O7/c1-3-4-14-38-22-8-6-20(17-24(22)37-2)27-26(28(34)21-7-9-23-25(18-21)40-16-15-39-23)29(35)30(36)33(27)12-5-11-32-13-10-31-19-32/h6-10,13,17-19,27,34H,3-5,11-12,14-16H2,1-2H3/b28-26+InChIKey
SNYSTTALDXORKB-BYCLXTJYSA-NSynonyms
620568-10-7(4E)5(4BUTOXY3METHOXYPHENYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4butoxy3methoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
620568107
CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN5C=CN=C5)OC
CCCCOc1ccc(cc1OC)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC30H33N3O7c1341438228620(1724(22)372)2726(28(34)21792325(1821)4016153923)29(35)30(36)33(27)12511321310311932h6101317192734H3511121416H212H3b2826+
MFCD18249331
ZINC000102887021
ZINC000102887023
Check stock
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