Vitas-M small molecule compound
1-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-(4-methoxyphenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Catalog ID
STL057861
SMILES COc1ccc(cc1)c1cn(c2[n+]1CCC2)CC(=O)c1ccc(cc1)C(C)(C)C
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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 C25H29N2O2 MW 389.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N2O2/c1-25(2,3)20-11-7-19(8-12-20)23(28)17-26-16-22(27-15-5-6-24(26)27)18-9-13-21(29-4)14-10-18/h7-14,16H,5-6,15,17H2,1-4H3/q+1InChIKey
YAGAXFFMANSLRZ-UHFFFAOYSA-NSynonyms
1(2(4tertbutylphenyl)2oxoethyl)3(4methoxyphenyl)1567tetrahydropyrrolo(12a)imidazol4ium
1(4TERTBUTYLPHENYL)2(3(4METHOXYPHENYL)67DIHYDRO5HPYRROLO(12A)IMIDAZOL1IUM1YL)ETHANONE
CC(C)(C)C1=CC=C(C=C1)C(=O)C(N+)2=C3CCCN3C(=C2)C4=CC=C(C=C4)OC
COc1ccc(cc1)c1cn(c2(n+)1CCC2)CC(=O)c1ccc(cc1)C(C)(C)C
InChI=1SC25H29N2O2c125(23)2011719(81220)23(28)17261622(27155624(26)27)1891321(294)141018h71416H561517H214H3q+1
ZINC000013758133
ZINC13758133
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