Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(4-propoxyphenyl)pyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STL147961
SMILES CCCOc1ccc(cc1)C1/C(=C(/c2ccc(cc2)OC(C)C)\[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 C29H33N3O5 MW 503.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O5/c1-4-18-36-23-10-6-21(7-11-23)26-25(27(33)22-8-12-24(13-9-22)37-20(2)3)28(34)29(35)32(26)16-5-15-31-17-14-30-19-31/h6-14,17,19-20,26,33H,4-5,15-16,18H2,1-3H3/b27-25+InChIKey
JCZHWIFLGQBWIR-IMVLJIQESA-NSynonyms
844458-65-7(4E)4(HYDROXY(4PROPAN2YLOXYPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(4PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(4propoxyphenyl)pyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
3HYDROXY1(3IMIDAZOLYLPROPYL)4((4(METHYLETHOXY)PHENYL)CARBONYL)5(4PROPOXYPHENYL)3PYRROLIN2ONE
844458657
CCCOC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OC(C)C)O)C(=O)C(=O)N2CCCN4C=CN=C4
CCCOc1ccc(cc1)C1C(=C(c2ccc(cc2)OC(C)C)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC29H33N3O5c1418362310621(71123)2625(27(33)2281224(13922)3720(2)3)28(34)29(35)32(26)16515311714301931h6141719202633H45151618H213H3b2725+
MFCD20755304
ZINC000102927033
ZINC000102927037
Check stock
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Check stock on Vitas-MAvailable files
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