Vitas-M small molecule compound
methyl 3-(1,3-benzodioxol-5-yl)-3-{5-[(2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)methyl]-3-hydroxy-1H-pyrazol-4-yl}propanoate
Catalog ID
STL543087
SMILES COC(=O)CC(c1c([nH]nc1O)Cc1ccc2c(c1)CCC(O2)(C)C)c1ccc2c(c1)OCO2
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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 C26H28N2O6 MW 464.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O6/c1-26(2)9-8-17-10-15(4-6-20(17)34-26)11-19-24(25(30)28-27-19)18(13-23(29)31-3)16-5-7-21-22(12-16)33-14-32-21/h4-7,10,12,18H,8-9,11,13-14H2,1-3H3,(H2,27,28,30)InChIKey
AGUSGTUWHSBTPE-UHFFFAOYSA-NSynonyms
1630853-59-61630853596
91638195
InChI=1SC26H28N2O6c126(2)98171015(4620(17)3426)111924(25(30)282719)18(1323(29)313)16572122(1216)33143221h47101218H89111314H213H3(H2272830)
methyl3(13benzodioxol5yl)3(3((22dimethyl34dihydrochromen6yl)methyl)5oxo12dihydropyrazol4yl)propanoate
methyl3(13benzodioxol5yl)3(5((22dimethyl34dihydro2Hchromen6yl)methyl)3hydroxy1Hpyrazol4yl)propanoate
METHYL3(BENZO(D)(13)DIOXOL5YL)3(5((22DIMETHYLCHROMAN6YL)METHYL)3OXO23DIHYDRO1HPYRAZOL4YL)PROPANOATE
MFCD31755775
ZINC000217860726
ZINC000217860793
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