Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Catalog ID
STL150487
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[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 C26H26N4O6 MW 490.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O6/c1-2-16-36-21-10-6-19(7-11-21)24(31)22-23(18-4-8-20(9-5-18)30(34)35)29(26(33)25(22)32)14-3-13-28-15-12-27-17-28/h4-12,15,17,23,31H,2-3,13-14,16H2,1H3/b24-22+InChIKey
ALUOJOCGSFHELY-ZNTNEXAZSA-NSynonyms
615272-88-3(4E)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(4NITROPHENYL)PYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)2(4nitrophenyl)45dioxopyrrolidin3ylidene)(4propoxyphenyl)methanolate
3HYDROXY1(3IMIDAZOLYLPROPYL)5(4NITROPHENYL)4((4PROPOXYPHENYL)CARBONYL)3PYRROLIN2ONE
615272883
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=C(C=C4)(N+)(=O)(O))O
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)(N+)(=O)(O))CCCn1c(nH+)cc1)(O)
InChI=1SC26H26N4O6c1216362110619(71121)24(31)2223(184820(9518)30(34)35)29(26(33)25(22)32)14313281512271728h41215172331H23131416H21H3b2422+
MFCD20755840
ZINC000102931952
ZINC000102931955
Check stock
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Check stock on Vitas-MAvailable files
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