Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL042368
SMILES COc1cc(cc(c1OC)OC)C1N(CCCn2c[nH+]cc2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/[O-]
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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 C28H29N3O8 MW 535.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O8/c1-35-21-14-18(15-22(36-2)27(21)37-3)24-23(25(32)17-5-6-19-20(13-17)39-12-11-38-19)26(33)28(34)31(24)9-4-8-30-10-7-29-16-30/h5-7,10,13-16,24,32H,4,8-9,11-12H2,1-3H3/b25-23+InChIKey
ZEWSMEVEFDEUTK-WJTDDFOZSA-NSynonyms
620567-90-0(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(345TRIMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(1(3(1Himidazol3ium1yl)propyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)methanolate
620567900
COC1=CC(=CC(=C1OC)OC)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN5C=CN=C5
COc1cc(cc(c1OC)OC)C1N(CCCn2c(nH+)cc2)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)(O)
InChI=1SC28H29N3O8c135211418(1522(362)27(21)373)2423(25(32)17561920(1317)3912113819)26(33)28(34)31(24)94830107291630h571013162432H4891112H213H3b2523+
MFCD18248158
ZINC000102870089
ZINC000102870091
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.