Vitas-M small molecule compound
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl 4-tert-butylbenzoate
Catalog ID
STK093049
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1)C(C)(C)C)C(c1c(O)[nH]nc1C)c1c(O)[nH]nc1C
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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 C28H32N4O5 MW 504.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N4O5/c1-7-36-21-14-18(24(22-15(2)29-31-25(22)33)23-16(3)30-32-26(23)34)10-13-20(21)37-27(35)17-8-11-19(12-9-17)28(4,5)6/h8-14,24H,7H2,1-6H3,(H2,29,31,33)(H2,30,32,34)InChIKey
JIWFDWVGYAECSF-UHFFFAOYSA-NSynonyms
900098-93-3(4(BIS(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)2ETHOXYPHENYL)4TERTBUTYLBENZOATE
4(bis(5hydroxy3methyl1Hpyrazol4yl)methyl)2ethoxyphenyl4(tertbutyl)benzoate
4(BIS(5HYDROXY3METHYL1HPYRAZOL4YL)METHYL)2ETHOXYPHENYL4TERTBUTYLBENZOATE
900098933
CCOC1=C(C=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)OC(=O)C4=CC=C(C=C4)C(C)(C)C
CCOc1cc(ccc1OC(=O)c1ccc(cc1)C(C)(C)C)C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C
InChI=1SC28H32N4O5c1736211418(24(2215(2)293125(22)33)2316(3)303226(23)34)101320(21)3727(35)1781119(12917)28(45)6h81424H7H216H3(H2293133)(H2303234)
MFCD03289059
STK093049
ZINC000020066144
ZINC20066144
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.