Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL041935
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])CCCn1c[nH+]cc1)/[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 C26H24N4O6 MW 488.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N4O6/c1-16-12-19-13-18(6-7-21(19)36-16)24(31)22-23(17-4-2-5-20(14-17)30(34)35)29(26(33)25(22)32)10-3-9-28-11-8-27-15-28/h2,4-8,11,13-16,23,31H,3,9-10,12H2,1H3/b24-22+InChIKey
JLLNJLVJTQFVEQ-ZNTNEXAZSA-NSynonyms
(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC(=CC=C5)(N+)(=O)(O))O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))CCCn1c(nH+)cc1)(O)
InChI=1SC26H24N4O6c11612191318(6721(19)3616)24(31)2223(1742520(1417)30(34)35)29(26(33)25(22)32)103928118271528h2481113162331H391012H21H3b2422+
MFCD18248127
ZINC000102737030
ZINC000102737035
Check stock
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