Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl[2-(3,4-dimethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STL043408
SMILES COc1ccc(cc1OC)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1Cc1ccc[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 C27H24N2O7 MW 488.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O7/c1-33-19-7-5-17(12-21(19)34-2)24-23(25(30)18-6-8-20-22(13-18)36-11-10-35-20)26(31)27(32)29(24)15-16-4-3-9-28-14-16/h3-9,12-14,24,30H,10-11,15H2,1-2H3/b25-23+InChIKey
MCWZVNUCXYDGKT-WJTDDFOZSA-NSynonyms
618413-06-2(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(34DIMETHOXYPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)23DIHYDRO14BENZODIOXIN6YL(2(34DIMETHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)23dihydro14benzodioxin6yl(2(34dimethoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
4(2H3HBENZO(34E)14DIOXAN6YLCARBONYL)5(34DIMETHOXYPHENYL)3HYDROXY1(3PYRIDYLMETHYL)3PYRROLIN2ONE
618413062
COC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)(O))C(=O)C(=O)N2CC5=C(NH+)=CC=C5)OC
COc1ccc(cc1OC)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
InChI=1SC27H24N2O7c133197517(1221(19)342)2423(25(30)18682022(1318)3611103520)26(31)27(32)29(24)1516439281416h3912142430H101115H212H3b2523+
MFCD18248207
ZINC000102872803
ZINC000102872808
Check stock
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