Vitas-M small molecule compound
methyl 3-(3-chloro-4-hydroxyphenyl)-3-{5-[(2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)methyl]-3-hydroxy-1H-pyrazol-4-yl}propanoate
Catalog ID
STL424383
SMILES COC(=O)CC(c1c([nH]nc1O)Cc1ccc2c(c1)CCC(O2)(C)C)c1ccc(c(c1)Cl)O
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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 C25H27ClN2O5 MW 470.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27ClN2O5/c1-25(2)9-8-16-10-14(4-7-21(16)33-25)11-19-23(24(31)28-27-19)17(13-22(30)32-3)15-5-6-20(29)18(26)12-15/h4-7,10,12,17,29H,8-9,11,13H2,1-3H3,(H2,27,28,31)InChIKey
ILNVHNWIASZSAV-UHFFFAOYSA-NSynonyms
1630856-49-31630856493
CC1(CCC2=C(O1)C=CC(=C2)CC3=C(C(=O)NN3)C(CC(=O)OC)C4=CC(=C(C=C4)O)Cl)C
COC(=O)CC(c1c((nH)nc1O)Cc1ccc2c(c1)CCC(O2)(C)C)c1ccc(c(c1)Cl)O
InChI=1SC25H27ClN2O5c125(2)98161014(4721(16)3325)111923(24(31)282719)17(1322(30)323)155620(29)18(26)1215h4710121729H891113H213H3(H2272831)
methyl3(3chloro4hydroxyphenyl)3(3((22dimethyl34dihydrochromen6yl)methyl)5oxo12dihydropyrazol4yl)propanoate
methyl3(3chloro4hydroxyphenyl)3(5((22dimethyl34dihydro2Hchromen6yl)methyl)3hydroxy1Hpyrazol4yl)propanoate
MFCD30709342
ZINC000218249922
ZINC000218249985
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