Vitas-M small molecule compound

(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate

Catalog ID
STK559737
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)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 C27H29N3O4 MW 459.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O4/c1-3-17-34-22-11-9-21(10-12-22)25(31)23-24(20-7-5-19(2)6-8-20)30(27(33)26(23)32)15-4-14-29-16-13-28-18-29/h5-13,16,18,24,31H,3-4,14-15,17H2,1-2H3/b25-23+
InChIKey
RYRREGMZKSWISX-WJTDDFOZSA-N
Synonyms
615277-11-7
(4E)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(4METHYLPHENYL)PYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)2(4methylphenyl)45dioxopyrrolidin3ylidene)(4propoxyphenyl)methanolate
3HYDROXY1(3IMIDAZOLYLPROPYL)5(4METHYLPHENYL)4((4PROPOXYPHENYL)CARBONYL)3PYRROLIN2ONE
615277117
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=C(C=C4)C)O
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C)CCCn1c(nH+)cc1)(O)
InChI=1SC27H29N3O4c1317342211921(101222)25(31)2324(207519(2)6820)30(27(33)26(23)32)15414291613281829h51316182431H34141517H212H3b2523+
MFCD18243354
ZINC000102489927
ZINC000102489936

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Available files

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