Vitas-M small molecule compound
(E)-{2-(3,4-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(prop-2-en-1-yloxy)phenyl]methanolate
Catalog ID
STK563879
SMILES C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)OC)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 C28H29N3O6 MW 503.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O6/c1-4-16-37-21-9-6-19(7-10-21)26(32)24-25(20-8-11-22(35-2)23(17-20)36-3)31(28(34)27(24)33)14-5-13-30-15-12-29-18-30/h4,6-12,15,17-18,25,32H,1,5,13-14,16H2,2-3H3/b26-24+InChIKey
IZTVCFFCJZZNGF-SHHOIMCASA-NSynonyms
615270-57-0(4E)5(34DIMETHOXYPHENYL)4(HYDROXY(4PROP2ENOXYPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(34dimethoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(4(prop2en1yloxy)phenyl)methanolate
5(34DIMETHOXYPHENYL)3HYDROXY1(3IMIDAZOLYLPROPYL)4((4PROP2ENYLOXYPHENYL)CARBONYL)3PYRROLIN2ONE
615270570
C=CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)OC)OC)CCCn1c(nH+)cc1)(O)
COC1=C(C=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCC=C)O)C(=O)C(=O)N2CCCN4C=CN=C4)OC
InChI=1SC28H29N3O6c141637219619(71021)26(32)2425(2081122(352)23(1720)363)31(28(34)27(24)33)14513301512291830h46121517182532H15131416H223H3b2624+
MFCD18244404
ZINC000101287119
ZINC000101287124
Check stock
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Check stock on Vitas-MAvailable files
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