Vitas-M small molecule compound

methyl 3-(5-benzyl-3-hydroxy-1H-pyrazol-4-yl)-3-(4-oxo-4H-chromen-3-yl)propanoate

Catalog ID
STL541559
SMILES COC(=O)CC(c1coc2c(c1=O)cccc2)c1c(O)n[nH]c1Cc1ccccc1

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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 C23H20N2O5 MW 404.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O5/c1-29-20(26)12-16(17-13-30-19-10-6-5-9-15(19)22(17)27)21-18(24-25-23(21)28)11-14-7-3-2-4-8-14/h2-10,13,16H,11-12H2,1H3,(H2,24,25,28)
InChIKey
XTMDYNJITTUNPB-UHFFFAOYSA-N
Synonyms
1574317-41-1
1574317411
71826602
InChI=1SC23H20N2O5c12920(26)1216(171330191065915(19)22(17)27)2118(242523(21)28)11147324814h2101316H1112H21H3(H2242528)
methyl3(3benzyl5oxo12dihydropyrazol4yl)3(4oxochromen3yl)propanoate
methyl3(5benzyl3hydroxy1Hpyrazol4yl)3(4oxo4Hchromen3yl)propanoate
METHYL3(5BENZYL3OXO23DIHYDRO1HPYRAZOL4YL)3(4OXO4HCHROMEN3YL)PROPANOATE
MFCD31755378
ZINC000096114907
ZINC000096114908

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.