Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Catalog ID
STK562489
SMILES COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)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 C27H29N3O4 MW 459.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O4/c1-18(2)19-8-10-20(11-9-19)24-23(25(31)21-6-4-7-22(16-21)34-3)26(32)27(33)30(24)14-5-13-29-15-12-28-17-29/h4,6-12,15-18,24,31H,5,13-14H2,1-3H3/b25-23+InChIKey
IVSQCNDTPMWTQE-WJTDDFOZSA-NSynonyms
(4E)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)(3methoxyphenyl)methanolate
3HYDROXY1(3IMIDAZOLYLPROPYL)4((3METHOXYPHENYL)CARBONYL)5(4(METHYLETHYL)PHENYL)3PYRROLIN2ONE
CC(C)C1=CC=C(C=C1)C2C(=C(C3=CC(=CC=C3)OC)O)C(=O)C(=O)N2CCCN4C=CN=C4
COc1cccc(c1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CCCn1cc(nH+)c1)(O)
InChI=1SC27H29N3O4c118(2)1981020(11919)2423(25(31)2164722(1621)343)26(32)27(33)30(24)14513291512281729h461215182431H51314H213H3b2523+
MFCD18244059
ZINC000102512931
ZINC000102512940
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.