Vitas-M small molecule compound
(E)-{2-(3,4-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Catalog ID
STK564365
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)OC)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 C28H31N3O6 MW 505.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O6/c1-4-16-37-21-9-6-19(7-10-21)26(32)24-25(20-8-11-22(35-2)23(17-20)36-3)31(28(34)27(24)33)14-5-13-30-15-12-29-18-30/h6-12,15,17-18,25,32H,4-5,13-14,16H2,1-3H3/b26-24+InChIKey
HUBZOJGYGHUOHT-SHHOIMCASA-NSynonyms
615275-61-1(4E)5(34DIMETHOXYPHENYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(34dimethoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(4propoxyphenyl)methanolate
5(34DIMETHOXYPHENYL)3HYDROXY1(3IMIDAZOLYLPROPYL)4((4PROPOXYPHENYL)CARBONYL)3PYRROLIN2ONE
615275611
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC(=C(C=C4)OC)OC)O
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)OC)OC)CCCn1c(nH+)cc1)(O)
InChI=1SC28H31N3O6c141637219619(71021)26(32)2425(2081122(352)23(1720)363)31(28(34)27(24)33)14513301512291830h6121517182532H45131416H213H3b2624+
MFCD18244520
ZINC000102527466
ZINC000102527474
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