Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-(3,4-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK565531
SMILES COc1cc(ccc1OC)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 C27H27N3O7 MW 505.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O7/c1-34-19-6-4-17(14-21(19)35-2)24-23(25(31)18-5-7-20-22(15-18)37-13-12-36-20)26(32)27(33)30(24)10-3-9-29-11-8-28-16-29/h4-8,11,14-16,24,31H,3,9-10,12-13H2,1-2H3/b25-23+InChIKey
BFRLFKNWHMBZJW-WJTDDFOZSA-NSynonyms
618411-75-9(E)23dihydro14benzodioxin6yl(2(34dimethoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)methanolate
618411759
COC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN5C=CN=C5)OC
COc1cc(ccc1OC)C1N(CCCn2c(nH+)cc2)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)(O)
InChI=1SC27H27N3O7c134196417(1421(19)352)2423(25(31)18572022(1518)3713123620)26(32)27(33)30(24)103929118281629h481114162431H39101213H212H3b2523+
MFCD09792958
ZINC000102535631
ZINC000102535641
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