Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-(furan-2-yl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK565859
SMILES O=C1C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/[O-])/C(N1CCCn1c[nH+]cc1)c1ccco1
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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 C23H21N3O6 MW 435.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O6/c27-21(15-4-5-16-18(13-15)32-12-11-31-16)19-20(17-3-1-10-30-17)26(23(29)22(19)28)8-2-7-25-9-6-24-14-25/h1,3-6,9-10,13-14,20,27H,2,7-8,11-12H2/b21-19+InChIKey
HITBEZUBSJIQAV-XUTLUUPISA-NSynonyms
618411-89-5(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(FURAN2YL)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(2(furan2yl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)methanolate
C1COC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC=CO5)O
InChI=1SC23H21N3O6c2721(15451618(1315)3212113116)1920(1731103017)26(23(29)22(19)28)8272596241425h13691013142027H2781112H2b2119+
MFCD09796631
O=C1C(=O)C(=C(c2ccc3c(c2)OCCO3)(O))C(N1CCCn1c(nH+)cc1)c1ccco1
ZINC000102649955
ZINC000102649957
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