Vitas-M small molecule compound
ethyl (4E)-5-ethoxy-5-hydroxy-3-{[2-methyl-1-(4-methylphenyl)-5-(phenylcarbonyl)-1H-imidazol-4-yl]imino}pent-4-enoate
Catalog ID
STK530895
SMILES CCOC(=O)C/C(=N\c1nc(n(c1C(=O)c1ccccc1)c1ccc(cc1)C)C)/C=C(/OCC)\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 C27H29N3O5 MW 475.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O5/c1-5-34-23(31)16-21(17-24(32)35-6-2)29-27-25(26(33)20-10-8-7-9-11-20)30(19(4)28-27)22-14-12-18(3)13-15-22/h7-16,31H,5-6,17H2,1-4H3/b23-16+,29-21-InChIKey
FICHCFQWLSRXJP-OBLCDMBQSA-NSynonyms
(4E)ethyl3((5benzoyl2methyl1(ptolyl)1Himidazol4yl)imino)5ethoxy5hydroxypent4enoate
CCOC(=O)CC(=Nc1nc(n(c1C(=O)c1ccccc1)c1ccc(cc1)C)C)C=C(OCC)O
ethyl(4E)5ethoxy5hydroxy3((2methyl1(4methylphenyl)5(phenylcarbonyl)1Himidazol4yl)imino)pent4enoate
MFCD02240567
ZINC000100743522
ZINC000245325294
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