Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-[4-(methoxycarbonyl)phenyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK568205
SMILES COC(=O)c1ccc(cc1)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 C27H25N3O7 MW 503.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O7/c1-35-27(34)18-5-3-17(4-6-18)23-22(24(31)19-7-8-20-21(15-19)37-14-13-36-20)25(32)26(33)30(23)11-2-10-29-12-9-28-16-29/h3-9,12,15-16,23,31H,2,10-11,13-14H2,1H3/b24-22+InChIKey
ZASUBYWYPQBWAZ-ZNTNEXAZSA-NSynonyms
620568-34-5(E)23dihydro14benzodioxin6yl(1(3(1Himidazol3ium1yl)propyl)2(4(methoxycarbonyl)phenyl)45dioxopyrrolidin3ylidene)methanolate
620568345
COC(=O)C1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN5C=CN=C5
COC(=O)c1ccc(cc1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC27H25N3O7c13527(34)185317(4618)2322(24(31)19782021(1519)3714133620)25(32)26(33)30(23)1121029129281629h391215162331H210111314H21H3b2422+
METHYL4((3E)3(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)45DIOXOPYRROLIDIN2YL)BENZOATE
MFCD18245213
ZINC000102551123
ZINC000102551128
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