Vitas-M small molecule compound
8-[(3,3-dimethylpiperidinium-1-yl)methyl]-6-ethyl-3-(1-methyl-1H-benzimidazol-2-yl)-4-oxo-4H-chromen-7-olate
Catalog ID
STL528374
SMILES CCc1cc2c(c(c1[O-])C[NH+]1CCCC(C1)(C)C)occ(c2=O)c1nc2c(n1C)cccc2
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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 C27H31N3O3 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O3/c1-5-17-13-18-24(32)20(26-28-21-9-6-7-10-22(21)29(26)4)15-33-25(18)19(23(17)31)14-30-12-8-11-27(2,3)16-30/h6-7,9-10,13,15,31H,5,8,11-12,14,16H2,1-4H3InChIKey
IUFYMYYNJLQFDK-UHFFFAOYSA-NSynonyms
384363-61-5384363615
4221652
8((33dimethylpiperidinium1yl)methyl)6ethyl3(1methyl1Hbenzimidazol2yl)4oxo4Hchromen7olate
MFCD03266179
ZINC000008964574
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