Vitas-M small molecule compound
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)propanamide
Catalog ID
STL551125
SMILES COc1cc(ccc1O)C(c1oc(C)cc(=O)c1O)CC(=O)NCCc1nc2c([nH]1)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 C25H25N3O6 MW 463.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O6/c1-14-11-20(30)24(32)25(34-14)16(15-7-8-19(29)21(12-15)33-2)13-23(31)26-10-9-22-27-17-5-3-4-6-18(17)28-22/h3-8,11-12,16,29,32H,9-10,13H2,1-2H3,(H,26,31)(H,27,28)InChIKey
QWVFENSNGZDVKV-UHFFFAOYSA-NSynonyms
~(N)(2(1~(H)benzimidazol2yl)ethyl)3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxopyran2yl)propanamide
129894684
COc1cc(ccc1O)C(c1oc(C)cc(=O)c1O)CC(=O)NCCc1nc2c((nH)1)cccc2
InChI=1SC25H25N3O6c1141120(30)24(32)25(3414)16(157819(29)21(1215)332)1323(31)26109222717534618(17)2822h381112162932H91013H212H3(H2631)(H2728)
MFCD31757961
N(2(1Hbenzimidazol2yl)ethyl)3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxo4Hpyran2yl)propanamide
N(2(1Hbenzo(d)imidazol2yl)ethyl)3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxo4Hpyran2yl)propanamide
ZINC000524729381
ZINC000524729382
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