Vitas-M small molecule compound
5-[(7-acetyl-4,6-dihydroxy-3,5-dimethyl-1-benzofuran-2-yl)methyl]-1-(4-methoxyphenyl)-3-methyl-1H-pyrazole-4-carboxylic acid
Catalog ID
STL561994
SMILES COc1ccc(cc1)n1nc(c(c1Cc1oc2c(c1C)c(O)c(c(c2C(=O)C)O)C)C(=O)O)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 C25H24N2O7 MW 464.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O7/c1-11-18(34-24-19(11)22(29)12(2)23(30)21(24)14(4)28)10-17-20(25(31)32)13(3)26-27(17)15-6-8-16(33-5)9-7-15/h6-9,29-30H,10H2,1-5H3,(H,31,32)InChIKey
VXPBEYBGCFEZFN-UHFFFAOYSA-NSynonyms
145705346
5((7acetyl46dihydroxy35dimethyl1benzofuran2yl)methyl)1(4methoxyphenyl)3methyl1Hpyrazole4carboxylicacid
5((7acetyl46dihydroxy35dimethyl1benzofuran2yl)methyl)1(4methoxyphenyl)3methylpyrazole4carboxylicacid
5((7acetyl46dihydroxy35dimethylbenzofuran2yl)methyl)1(4methoxyphenyl)3methyl1Hpyrazole4carboxylicacid
InChI=1SC25H24N2O7c11118(342419(11)22(29)12(2)23(30)21(24)14(4)28)101720(25(31)32)13(3)2627(17)156816(335)9715h692930H10H215H3(H3132)
MFCD32651049
ZINC001848443484
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