Vitas-M small molecule compound
(E)-{2-(2,3-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-ethoxyphenyl)methanolate
Catalog ID
STK566680
SMILES CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1OC)OC)CCCn1cc[nH+]c1)/[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/c1-4-36-19-11-9-18(10-12-19)24(31)22-23(20-7-5-8-21(34-2)26(20)35-3)30(27(33)25(22)32)15-6-14-29-16-13-28-17-29/h5,7-13,16-17,23,31H,4,6,14-15H2,1-3H3/b24-22+InChIKey
WTBVACXVUJXYIK-ZNTNEXAZSA-NSynonyms
371124-73-1(4E)5(23DIMETHOXYPHENYL)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(23dimethoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(4ethoxyphenyl)methanolate
371124731
5(23DIMETHOXYPHENYL)4((4ETHOXYPHENYL)CARBONYL)3HYDROXY1(3IMIDAZOLYLPROPYL)3PYRROLIN2ONE
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(C1c1cccc(c1OC)OC)CCCn1cc(nH+)c1)(O)
InChI=1SC27H29N3O6c14361911918(101219)24(31)2223(2075821(342)26(20)353)30(27(33)25(22)32)15614291613281729h571316172331H461415H213H3b2422+
MFCD18245080
ZINC000102543234
ZINC000102543241
Check stock
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Check stock on Vitas-MAvailable files
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