Vitas-M small molecule compound
(E)-(4-ethoxyphenyl){1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}methanolate
Catalog ID
STL038314
SMILES C=CCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)OCC)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1
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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 C28H29N3O5 MW 487.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O5/c1-3-17-36-23-8-5-7-21(18-23)25-24(26(32)20-9-11-22(12-10-20)35-4-2)27(33)28(34)31(25)15-6-14-30-16-13-29-19-30/h3,5,7-13,16,18-19,25,32H,1,4,6,14-15,17H2,2H3/b26-24+InChIKey
OQPKSGAVLADKCH-SHHOIMCASA-NSynonyms
620123-14-0(4E)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(3PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
(E)(4ethoxyphenyl)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(3(prop2en1yloxy)phenyl)pyrrolidin3ylidene)methanolate
620123140
C=CCOc1cccc(c1)C1C(=C(c2ccc(cc2)OCC)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC(=CC=C4)OCC=C)O
InChI=1SC28H29N3O5c1317362385721(1823)2524(26(32)2091122(121020)3542)27(33)28(34)31(25)15614301613291930h357131618192532H146141517H22H3b2624+
MFCD18247598
ZINC000101313557
ZINC000101313560
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