Vitas-M small molecule compound
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 2-methylbenzoate
Catalog ID
STK016167
SMILES O=C(c1ccccc1C)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 C23H22N4O4 MW 418.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O4/c1-12-6-4-5-7-17(12)23(30)31-16-10-8-15(9-11-16)20(18-13(2)24-26-21(18)28)19-14(3)25-27-22(19)29/h4-11,20H,1-3H3,(H2,24,26,28)(H2,25,27,29)InChIKey
QCJKDAYRXHHCEL-UHFFFAOYSA-NSynonyms
900099-53-8(4(BIS(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)PHENYL)2METHYLBENZOATE
4(BIS(5HYDROXY3METHYL1HPYRAZOL4YL)METHYL)PHENYL2METHYLBENZOATE
900099538
CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C(C3=C(NNC3=O)C)C4=C(NNC4=O)C
InChI=1SC23H22N4O4c112645717(12)23(30)311610815(91116)20(1813(2)242621(18)28)1914(3)252722(19)29h41120H13H3(H2242628)(H2252729)
MFCD03290788
O=C(c1ccccc1C)Oc1ccc(cc1)C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C
STK016167
ZINC000004551825
ZINC04551825
ZINC4551825
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