Vitas-M small molecule compound

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

Catalog ID
STK099682
SMILES CCOc1cc(ccc1OC(=O)c1ccccc1)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 C24H24N4O5 MW 448.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O5/c1-4-32-18-12-16(10-11-17(18)33-24(31)15-8-6-5-7-9-15)21(19-13(2)25-27-22(19)29)20-14(3)26-28-23(20)30/h5-12,21H,4H2,1-3H3,(H2,25,27,29)(H2,26,28,30)
InChIKey
AANRBFYENZJEQU-UHFFFAOYSA-N
Synonyms
900098-97-7
(4(BIS(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)2ETHOXYPHENYL)BENZOATE
4(BIS(5HYDROXY3METHYL1HPYRAZOL4YL)METHYL)2ETHOXYPHENYLBENZOATE
4(BIS(5HYDROXY3METHYLPYRAZOL4YL)METHYL)2ETHOXYPHENYLBENZOATE
900098977
CCOC1=C(C=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)OC(=O)C4=CC=CC=C4
CCOc1cc(ccc1OC(=O)c1ccccc1)C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C
InChI=1SC24H24N4O5c1432181216(101117(18)3324(31)158657915)21(1913(2)252722(19)29)2014(3)262823(20)30h51221H4H213H3(H2252729)(H2262830)
MFCD03119595
STK099682
ZINC000019534898
ZINC19534898

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Available files

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