Vitas-M small molecule compound
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 4-methoxybenzoate
Catalog ID
STK112495
SMILES COc1ccc(cc1)C(=O)Oc1ccc(cc1)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 C23H22N4O5 MW 434.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O5/c1-12-18(21(28)26-24-12)20(19-13(2)25-27-22(19)29)14-4-10-17(11-5-14)32-23(30)15-6-8-16(31-3)9-7-15/h4-11,20H,1-3H3,(H2,24,26,28)(H2,25,27,29)InChIKey
BTSOZOIZNNYIQQ-UHFFFAOYSA-NSynonyms
431992-34-6(4(BIS(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)PHENYL)4METHOXYBENZOATE
4(BIS(5HYDROXY3METHYL1HPYRAZOL4YL)METHYL)PHENYL4METHOXYBENZOATE
431992346
CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OC)C4=C(NNC4=O)C
COc1ccc(cc1)C(=O)Oc1ccc(cc1)C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C
InChI=1SC23H22N4O5c11218(21(28)262412)20(1913(2)252722(19)29)1441017(11514)3223(30)156816(313)9715h41120H13H3(H2242628)(H2252729)
MFCD03044109
ZINC000008590016
ZINC08590016
ZINC8590016
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