Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl[2-(3-hydroxyphenyl)-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STL041780
SMILES Oc1cccc(c1)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 C25H20N2O6 MW 444.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O6/c28-18-3-1-2-16(12-18)22-21(23(29)17-4-5-19-20(13-17)33-11-10-32-19)24(30)25(31)27(22)14-15-6-8-26-9-7-15/h1-9,12-13,22,28-29H,10-11,14H2/b23-21+InChIKey
DDVVNMNKAJPVIL-XTQSDGFTSA-NSynonyms
620566-72-5(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3HYDROXYPHENYL)1(PYRIDIN4YLMETHYL)PYRROLIDINE23DIONE
(E)23DIHYDRO14BENZODIOXIN6YL(2(3HYDROXYPHENYL)45DIOXO1(PYRIDIN1IUM4YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)23dihydro14benzodioxin6yl(2(3hydroxyphenyl)45dioxo1(pyridinium4ylmethyl)pyrrolidin3ylidene)methanolate
620566725
C1COC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CC4=CC=NC=C4)C5=CC(=CC=C5)O)O
InChI=1SC25H20N2O6c281831216(1218)2221(23(29)17451920(1317)3311103219)24(30)25(31)27(22)141568269715h191213222829H101114H2b2321+
MFCD18248119
Oc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1Cc1cc(nH+)cc1
ZINC000102868666
ZINC000102868672
Check stock
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