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}(4-propoxyphenyl)methanolate
Catalog ID
STK562753
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)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 C29H33N3O4 MW 487.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O4/c1-4-18-36-24-12-10-23(11-13-24)27(33)25-26(22-8-6-21(7-9-22)20(2)3)32(29(35)28(25)34)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
DAOKPFGURPQGTA-IMVLJIQESA-NSynonyms
615277-15-1(4E)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)(4propoxyphenyl)methanolate
3HYDROXY1(3IMIDAZOLYLPROPYL)5(4(METHYLETHYL)PHENYL)4((4PROPOXYPHENYL)CARBONYL)3PYRROLIN2ONE
615277151
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=C(C=C4)C(C)C)O
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CCCn1c(nH+)cc1)(O)
InChI=1SC29H33N3O4c14183624121023(111324)27(33)2526(228621(7922)20(2)3)32(29(35)28(25)34)16515311714301931h6141719202633H45151618H213H3b2725+
MFCD18244116
ZINC000102515182
ZINC000102515189
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.