Vitas-M small molecule compound
(E)-(4-ethoxyphenyl){1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-[4-(propan-2-yloxy)phenyl]pyrrolidin-3-ylidene}methanolate
Catalog ID
STK560839
SMILES CCOc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)OC(C)C)N(C(=O)C1=O)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 C28H31N3O5 MW 489.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O5/c1-4-35-22-10-8-21(9-11-22)26(32)24-25(20-6-12-23(13-7-20)36-19(2)3)31(28(34)27(24)33)16-5-15-30-17-14-29-18-30/h6-14,17-19,25,32H,4-5,15-16H2,1-3H3/b26-24+InChIKey
VVQHZMUVBHCABF-SHHOIMCASA-NSynonyms
836624-90-9(4E)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(4PROPAN2YLOXYPHENYL)PYRROLIDINE23DIONE
(E)(4ethoxyphenyl)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(4(propan2yloxy)phenyl)pyrrolidin3ylidene)methanolate
836624909
CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=C(C=C4)OC(C)C)O
CCOc1ccc(cc1)C(=C1C(c2ccc(cc2)OC(C)C)N(C(=O)C1=O)CCCn1c(nH+)cc1)(O)
InChI=1SC28H31N3O5c14352210821(91122)26(32)2425(2061223(13720)3619(2)3)31(28(34)27(24)33)16515301714291830h61417192532H451516H213H3b2624+
MFCD18243643
ZINC000102499282
ZINC000102499290
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