Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-(2,3-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK558969
SMILES COc1c(OC)cccc1C1N(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/c1-34-20-6-3-5-18(26(20)35-2)23-22(24(31)17-7-8-19-21(15-17)37-14-13-36-19)25(32)27(33)30(23)11-4-10-29-12-9-28-16-29/h3,5-9,12,15-16,23,31H,4,10-11,13-14H2,1-2H3/b24-22+InChIKey
NFHOGIJGFBWYAK-ZNTNEXAZSA-NSynonyms
618411-54-4(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(23DIMETHOXYPHENYL)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(2(23dimethoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)methanolate
4(2H3HBENZO(34E)14DIOXAN6YLCARBONYL)5(23DIMETHOXYPHENYL)3HYDROXY1(3IMIDAZOLYLPROPYL)3PYRROLIN2ONE
618411544
COC1=CC=CC(=C1OC)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN5C=CN=C5
COc1c(OC)cccc1C1N(CCCn2c(nH+)cc2)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)(O)
InChI=1SC27H27N3O7c1342063518(26(20)352)2322(24(31)17781921(1517)3714133619)25(32)27(33)30(23)1141029129281629h3591215162331H410111314H212H3b2422+
MFCD18243156
ZINC000102483518
ZINC000102483525
Check stock
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Check stock on Vitas-MAvailable files
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