Vitas-M small molecule compound
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)propanamide
Catalog ID
STL551307
SMILES COc1cc(ccc1O)C(c1oc(C)cc(=O)c1O)CC(=O)NCc1c(C)n[nH]c1C
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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 C22H25N3O6 MW 427.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O6/c1-11-7-18(27)21(29)22(31-11)15(14-5-6-17(26)19(8-14)30-4)9-20(28)23-10-16-12(2)24-25-13(16)3/h5-8,15,26,29H,9-10H2,1-4H3,(H,23,28)(H,24,25)InChIKey
MRPSRXXOWHFRLY-UHFFFAOYSA-NSynonyms
~(N)((35dimethyl1~(H)pyrazol4yl)methyl)3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxopyran2yl)propanamide
129895846
COc1cc(ccc1O)C(c1oc(C)cc(=O)c1O)CC(=O)NCc1c(C)n(nH)c1C
InChI=1SC22H25N3O6c111718(27)21(29)22(3111)15(145617(26)19(814)304)920(28)23101612(2)242513(16)3h58152629H910H214H3(H2328)(H2425)
MFCD31758061
N((35dimethyl1Hpyrazol4yl)methyl)3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxo4Hpyran2yl)propanamide
ZINC000524731856
ZINC000524731857
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