Vitas-M small molecule compound
3-[5-methyl-3-oxido-4-(phenylcarbamoyl)-1H-imidazol-1-yl]-4-(propan-2-yloxy)benzoic acid
Catalog ID
STL510297
SMILES CC(Oc1ccc(cc1n1c[n+](c(c1C)C(=O)Nc1ccccc1)[O-])C(=O)O)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 C21H21N3O5 MW 395.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O5/c1-13(2)29-18-10-9-15(21(26)27)11-17(18)23-12-24(28)19(14(23)3)20(25)22-16-7-5-4-6-8-16/h4-13H,1-3H3,(H,22,25)(H,26,27)InChIKey
IJJZYDVRSQKIMQ-UHFFFAOYSA-NSynonyms
1(5carboxy2isopropoxyphenyl)5methyl4(phenylcarbamoyl)1Himidazole3oxide
134717110
3(5methyl3oxido4(phenylcarbamoyl)1Himidazol1yl)4(propan2yloxy)benzoicacid
3(5methyl3oxido4(phenylcarbamoyl)imidazol3ium1yl)4propan2yloxybenzoicacid
CC(Oc1ccc(cc1n1c(n+)(c(c1C)C(=O)Nc1ccccc1)(O))C(=O)O)C
InChI=1SC21H21N3O5c113(2)291810915(21(26)27)1117(18)231224(28)19(14(23)3)20(25)22167546816h413H13H3(H2225)(H2627)
MFCD31711388
ZINC001547200814
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