Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}[4-(prop-2-en-1-yloxy)phenyl]methanolate
Catalog ID
STL038527
SMILES C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)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 C26H25N3O4 MW 443.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O4/c1-2-17-33-21-11-9-20(10-12-21)24(30)22-23(19-7-4-3-5-8-19)29(26(32)25(22)31)15-6-14-28-16-13-27-18-28/h2-5,7-13,16,18,23,30H,1,6,14-15,17H2/b24-22+InChIKey
SRHJQMSPAHQLST-ZNTNEXAZSA-NSynonyms
(4E)4(HYDROXY(4PROP2ENOXYPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5PHENYLPYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)45dioxo2phenylpyrrolidin3ylidene)(4(prop2en1yloxy)phenyl)methanolate
1(3(1HIMIDAZOL1YL)PROPYL)4(4(ALLYLOXY)BENZOYL)3HYDROXY5PHENYL1HPYRROL2(5H)ONE
C=CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CC=C4)O
C=CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccccc1)CCCn1c(nH+)cc1)(O)
InChI=1SC26H25N3O4c1217332111920(101221)24(30)2223(197435819)29(26(32)25(22)31)15614281613271828h2571316182330H16141517H2b2422+
MFCD18247646
ZINC000101287941
ZINC000101287945
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