Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(4-propoxyphenyl)pyrrolidin-3-ylidene}(phenyl)methanolate
Catalog ID
STK565762
SMILES CCCOc1ccc(cc1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1
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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 C26H27N3O4 MW 445.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O4/c1-2-17-33-21-11-9-19(10-12-21)23-22(24(30)20-7-4-3-5-8-20)25(31)26(32)29(23)15-6-14-28-16-13-27-18-28/h3-5,7-13,16,18,23,30H,2,6,14-15,17H2,1H3/b24-22+InChIKey
NCSBURCBPZDFQH-ZNTNEXAZSA-NSynonyms
615270-55-8(4E)4(HYDROXY(PHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(4PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(4propoxyphenyl)pyrrolidin3ylidene)(phenyl)methanolate
3HYDROXY1(3IMIDAZOLYLPROPYL)4(PHENYLCARBONYL)5(4PROPOXYPHENYL)3PYRROLIN2ONE
615270558
CCCOC1=CC=C(C=C1)C2C(=C(C3=CC=CC=C3)O)C(=O)C(=O)N2CCCN4C=CN=C4
CCCOc1ccc(cc1)C1C(=C(c2ccccc2)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC26H27N3O4c1217332111919(101221)2322(24(30)207435820)25(31)26(32)29(23)15614281613271828h3571316182330H26141517H21H3b2422+
MFCD18244865
ZINC000102537260
ZINC000102537266
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