Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-[4-(methoxycarbonyl)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STK563289
SMILES COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CCCn1cc[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 C28H27N3O6 MW 501.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O6/c1-17-14-21-15-20(8-9-22(21)37-17)25(32)23-24(18-4-6-19(7-5-18)28(35)36-2)31(27(34)26(23)33)12-3-11-30-13-10-29-16-30/h4-10,13,15-17,24,32H,3,11-12,14H2,1-2H3/b25-23+InChIKey
BRDNHAQYKJKELN-WJTDDFOZSA-NSynonyms
840511-86-6(E)(1(3(1Himidazol3ium1yl)propyl)2(4(methoxycarbonyl)phenyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
840511866
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC=C(C=C5)C(=O)OC)O
COC(=O)c1ccc(cc1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC28H27N3O6c11714211520(8922(21)3717)25(32)2324(184619(7518)28(35)362)31(27(34)26(23)33)12311301310291630h4101315172432H3111214H212H3b2523+
METHYL4((3E)3(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)45DIOXOPYRROLIDIN2YL)BENZOATE
MFCD18244259
ZINC000102519302
ZINC000102646868
Check stock
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Check stock on Vitas-MAvailable files
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