Vitas-M small molecule compound

4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl 2-methoxybenzoate

Catalog ID
STK130061
SMILES CCOc1cc(ccc1OC(=O)c1ccccc1OC)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 C25H26N4O6 MW 478.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O6/c1-5-34-19-12-15(10-11-18(19)35-25(32)16-8-6-7-9-17(16)33-4)22(20-13(2)26-28-23(20)30)21-14(3)27-29-24(21)31/h6-12,22H,5H2,1-4H3,(H2,26,28,30)(H2,27,29,31)
InChIKey
KTLHPMKAIICAPB-UHFFFAOYSA-N
Synonyms

(4(BIS(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)2ETHOXYPHENYL)2METHOXYBENZOATE
4(BIS(5HYDROXY3METHYL1HPYRAZOL4YL)METHYL)2ETHOXYPHENYL2METHOXYBENZOATE
CCOC1=C(C=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)OC(=O)C4=CC=CC=C4OC
CCOc1cc(ccc1OC(=O)c1ccccc1OC)C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C
InChI=1SC25H26N4O6c1534191215(101118(19)3525(32)16867917(16)334)22(2013(2)262823(20)30)2114(3)272924(21)31h61222H5H214H3(H2262830)(H2272931)
MFCD04550292
ZINC000009804849
ZINC09804849
ZINC9804849

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Available files

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