Vitas-M small molecule compound
N-[1-(4-cyanobenzyl)piperidin-4-yl]-3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)propanamide
Catalog ID
STL550069
SMILES COc1cc(ccc1O)C(c1oc(C)cc(=O)c1O)CC(=O)NC1CCN(CC1)Cc1ccc(cc1)C#N
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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 C29H31N3O6 MW 517.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O6/c1-18-13-25(34)28(36)29(38-18)23(21-7-8-24(33)26(14-21)37-2)15-27(35)31-22-9-11-32(12-10-22)17-20-5-3-19(16-30)4-6-20/h3-8,13-14,22-23,33,36H,9-12,15,17H2,1-2H3,(H,31,35)InChIKey
ITXYJWGKSMXCOK-UHFFFAOYSA-NSynonyms
~(N)(1((4cyanophenyl)methyl)piperidin4yl)3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxopyran2yl)propanamide
127252530
InChI=1SC29H31N3O6c1181325(34)28(36)29(3818)23(217824(33)26(1421)372)1527(35)312291132(121022)17205319(1630)4620h38131422233336H9121517H212H3(H3135)
MFCD31757375
N(1(4cyanobenzyl)piperidin4yl)3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxo4Hpyran2yl)propanamide
ZINC000604404663
ZINC000604404664
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