Vitas-M small molecule compound
methyl 4-[1-(5-benzyl-3-hydroxy-1H-pyrazol-4-yl)-3-methoxy-3-oxopropyl]benzoate
Catalog ID
STL540967
SMILES COC(=O)CC(c1c([nH]nc1O)Cc1ccccc1)c1ccc(cc1)C(=O)OC
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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 C22H22N2O5 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O5/c1-28-19(25)13-17(15-8-10-16(11-9-15)22(27)29-2)20-18(23-24-21(20)26)12-14-6-4-3-5-7-14/h3-11,17H,12-13H2,1-2H3,(H2,23,24,26)InChIKey
CBKNGKDSJPZORZ-UHFFFAOYSA-NSynonyms
1574398-93-81574398938
71825937
InChI=1SC22H22N2O5c12819(25)1317(1581016(11915)22(27)292)2018(232421(20)26)12146435714h31117H1213H212H3(H2232426)
methyl4(1(3benzyl5oxo12dihydropyrazol4yl)3methoxy3oxopropyl)benzoate
methyl4(1(5benzyl3hydroxy1Hpyrazol4yl)3methoxy3oxopropyl)benzoate
METHYL4(1(5BENZYL3OXO23DIHYDRO1HPYRAZOL4YL)3METHOXY3OXOPROPYL)BENZOATE
MFCD31755214
ZINC000096115919
ZINC000096115920
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