Vitas-M small molecule compound

methyl 3-(5-benzyl-3-hydroxy-1H-pyrazol-4-yl)-3-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)propanoate

Catalog ID
STL542636
SMILES COC(=O)CC(c1c(O)n[nH]c1Cc1ccccc1)c1cc(OC)c2c(c1)OCCO2

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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 C23H24N2O6 MW 424.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N2O6/c1-28-18-11-15(12-19-22(18)31-9-8-30-19)16(13-20(26)29-2)21-17(24-25-23(21)27)10-14-6-4-3-5-7-14/h3-7,11-12,16H,8-10,13H2,1-2H3,(H2,24,25,27)
InChIKey
KSMPWRSVPKJHQJ-UHFFFAOYSA-N
Synonyms
1574471-46-7
1574471467
71826142
InChI=1SC23H24N2O6c128181115(121922(18)31983019)16(1320(26)292)2117(242523(21)27)10146435714h37111216H81013H212H3(H2242527)
methyl3(3benzyl5oxo12dihydropyrazol4yl)3(5methoxy23dihydro14benzodioxin7yl)propanoate
methyl3(5benzyl3hydroxy1Hpyrazol4yl)3(8methoxy23dihydro14benzodioxin6yl)propanoate
METHYL3(5BENZYL3OXO23DIHYDRO1HPYRAZOL4YL)3(8METHOXY23DIHYDROBENZO(B)(14)DIOXIN6YL)PROPANOATE
MFCD31755679
ZINC000096115593
ZINC000096115594

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Available files

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