Vitas-M small molecule compound
N-[5-(1H-benzimidazol-2-yl)pentyl]-3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)propanamide
Catalog ID
STL549712
SMILES COc1cc(ccc1O)C(c1oc(C)cc(=O)c1O)CC(=O)NCCCCCc1nc2c([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 C28H31N3O6 MW 505.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O6/c1-17-14-23(33)27(35)28(37-17)19(18-11-12-22(32)24(15-18)36-2)16-26(34)29-13-7-3-4-10-25-30-20-8-5-6-9-21(20)31-25/h5-6,8-9,11-12,14-15,19,32,35H,3-4,7,10,13,16H2,1-2H3,(H,29,34)(H,30,31)InChIKey
AZPIZEWOIXNBFP-UHFFFAOYSA-NSynonyms
~(N)(5(1~(H)benzimidazol2yl)pentyl)3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxopyran2yl)propanamide
129895044
COc1cc(ccc1O)C(c1oc(C)cc(=O)c1O)CC(=O)NCCCCCc1nc2c((nH)1)cccc2
InChI=1SC28H31N3O6c1171423(33)27(35)28(3717)19(18111222(32)24(1518)362)1626(34)291373410253020856921(20)3125h568911121415193235H347101316H212H3(H2934)(H3031)
MFCD31757158
N(5(1Hbenzimidazol2yl)pentyl)3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxo4Hpyran2yl)propanamide
N(5(1Hbenzo(d)imidazol2yl)pentyl)3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxo4Hpyran2yl)propanamide
ZINC000524729632
ZINC000524729633
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