Vitas-M small molecule compound
methyl 3-{5-[(2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)methyl]-3-hydroxy-1H-pyrazol-4-yl}-3-(7-methoxy-1,3-benzodioxol-5-yl)propanoate
Catalog ID
STL543279
SMILES COC(=O)CC(c1c(O)n[nH]c1Cc1ccc2c(c1)CCC(O2)(C)C)c1cc(OC)c2c(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 C27H30N2O7 MW 494.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O7/c1-27(2)8-7-16-9-15(5-6-20(16)36-27)10-19-24(26(31)29-28-19)18(13-23(30)33-4)17-11-21(32-3)25-22(12-17)34-14-35-25/h5-6,9,11-12,18H,7-8,10,13-14H2,1-4H3,(H2,28,29,31)InChIKey
WSDVFLQAOJDJSU-UHFFFAOYSA-NSynonyms
1630872-35-31630872353
91636842
InChI=1SC27H30N2O7c127(2)8716915(5620(16)3627)101924(26(31)292819)18(1323(30)334)171121(323)2522(1217)34143525h569111218H78101314H214H3(H2282931)
methyl3(3((22dimethyl34dihydrochromen6yl)methyl)5oxo12dihydropyrazol4yl)3(7methoxy13benzodioxol5yl)propanoate
methyl3(5((22dimethyl34dihydro2Hchromen6yl)methyl)3hydroxy1Hpyrazol4yl)3(7methoxy13benzodioxol5yl)propanoate
METHYL3(5((22DIMETHYLCHROMAN6YL)METHYL)3OXO23DIHYDRO1HPYRAZOL4YL)3(7METHOXYBENZO(D)(13)DIOXOL5YL)PROPANOATE
MFCD31755815
ZINC000217653356
ZINC000217653434
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