Vitas-M small molecule compound
(E)-{2-(2,5-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-ethoxyphenyl)methanolate
Catalog ID
STK560209
SMILES CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cc(OC)ccc1OC)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 C27H29N3O6 MW 491.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O6/c1-4-36-19-8-6-18(7-9-19)25(31)23-24(21-16-20(34-2)10-11-22(21)35-3)30(27(33)26(23)32)14-5-13-29-15-12-28-17-29/h6-12,15-17,24,31H,4-5,13-14H2,1-3H3/b25-23+InChIKey
NEMXQHOLORCELV-WJTDDFOZSA-NSynonyms
(4E)5(25DIMETHOXYPHENYL)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(25dimethoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(4ethoxyphenyl)methanolate
CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=C(C=CC(=C4)OC)OC)O
CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cc(OC)ccc1OC)CCCn1c(nH+)cc1)(O)
InChI=1SC27H29N3O6c1436198618(7919)25(31)2324(211620(342)101122(21)353)30(27(33)26(23)32)14513291512281729h61215172431H451314H213H3b2523+
MFCD18243472
ZINC000102493954
ZINC000102493965
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