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-(5-methylfuran-2-yl)propanoate
Catalog ID
STL424698
SMILES COC(=O)CC(c1c([nH]nc1O)Cc1ccc2c(c1)CCC(O2)(C)C)c1ccc(o1)C
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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 C24H28N2O5 MW 424.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O5/c1-14-5-7-20(30-14)17(13-21(27)29-4)22-18(25-26-23(22)28)12-15-6-8-19-16(11-15)9-10-24(2,3)31-19/h5-8,11,17H,9-10,12-13H2,1-4H3,(H2,25,26,28)InChIKey
HDZDYHZGSGAOFQ-UHFFFAOYSA-NSynonyms
1630857-59-81630857598
CC1=CC=C(O1)C(CC(=O)OC)C2=C(NNC2=O)CC3=CC4=C(C=C3)OC(CC4)(C)C
COC(=O)CC(c1c((nH)nc1O)Cc1ccc2c(c1)CCC(O2)(C)C)c1ccc(o1)C
InChI=1SC24H28N2O5c1145720(3014)17(1321(27)294)2218(252623(22)28)1215681916(1115)91024(23)3119h581117H9101213H214H3(H2252628)
methyl3(3((22dimethyl34dihydrochromen6yl)methyl)5oxo12dihydropyrazol4yl)3(5methylfuran2yl)propanoate
methyl3(5((22dimethyl34dihydro2Hchromen6yl)methyl)3hydroxy1Hpyrazol4yl)3(5methylfuran2yl)propanoate
MFCD30709524
ZINC000218372943
ZINC000218373014
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