Vitas-M small molecule compound
(E)-{2-(3-bromophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Catalog ID
STL149648
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Br)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 C26H26BrN3O4 MW 524.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26BrN3O4/c1-2-15-34-21-9-7-18(8-10-21)24(31)22-23(19-5-3-6-20(27)16-19)30(26(33)25(22)32)13-4-12-29-14-11-28-17-29/h3,5-11,14,16-17,23,31H,2,4,12-13,15H2,1H3/b24-22+InChIKey
IKBKOOHRDXMHAK-ZNTNEXAZSA-NSynonyms
615277-09-3(4E)5(3BROMOPHENYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(3bromophenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(4propoxyphenyl)methanolate
5(3BROMOPHENYL)3HYDROXY1(3IMIDAZOLYLPROPYL)4((4PROPOXYPHENYL)CARBONYL)3PYRROLIN2ONE
615277093
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC(=CC=C4)Br)O
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Br)CCCn1c(nH+)cc1)(O)
InChI=1SC26H26BrN3O4c121534219718(81021)24(31)2223(1953620(27)1619)30(26(33)25(22)32)13412291411281729h35111416172331H24121315H21H3b2422+
MFCD20755645
ZINC000102929871
ZINC000102929874
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