Vitas-M small molecule compound
5-[(7-acetyl-4,6-dihydroxy-3,5-dimethyl-1-benzofuran-2-yl)methyl]-3-methyl-1-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxylic acid
Catalog ID
STL559305
SMILES OC(=O)c1c(C)nn(c1Cc1oc2c(c1C)c(O)c(c(c2C(=O)C)O)C)c1ccc(cc1)OC(F)(F)F
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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 C25H21F3N2O7 MW 518.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21F3N2O7/c1-10-17(36-23-18(10)21(32)11(2)22(33)20(23)13(4)31)9-16-19(24(34)35)12(3)29-30(16)14-5-7-15(8-6-14)37-25(26,27)28/h5-8,32-33H,9H2,1-4H3,(H,34,35)InChIKey
MRWONSAFBVDUPR-UHFFFAOYSA-NSynonyms
139029708
5((7acetyl46dihydroxy35dimethyl1benzofuran2yl)methyl)3methyl1(4(trifluoromethoxy)phenyl)1Hpyrazole4carboxylicacid
5((7acetyl46dihydroxy35dimethyl1benzofuran2yl)methyl)3methyl1(4(trifluoromethoxy)phenyl)pyrazole4carboxylicacid
5((7acetyl46dihydroxy35dimethylbenzofuran2yl)methyl)3methyl1(4(trifluoromethoxy)phenyl)1Hpyrazole4carboxylicacid
InChI=1SC25H21F3N2O7c11017(362318(10)21(32)11(2)22(33)20(23)13(4)31)91619(24(34)35)12(3)2930(16)145715(8614)3725(2627)28h583233H9H214H3(H3435)
MFCD32221160
ZINC001776111298
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