Vitas-M small molecule compound
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 2-fluorobenzoate
Catalog ID
STK131687
SMILES O=C(c1ccccc1F)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 C22H19FN4O4 MW 422.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19FN4O4/c1-11-17(20(28)26-24-11)19(18-12(2)25-27-21(18)29)13-7-9-14(10-8-13)31-22(30)15-5-3-4-6-16(15)23/h3-10,19H,1-2H3,(H2,24,26,28)(H2,25,27,29)InChIKey
NKTVSUCPQYTWLX-UHFFFAOYSA-NSynonyms
432515-68-9(4(BIS(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)PHENYL)2FLUOROBENZOATE
4(BIS(5HYDROXY3METHYL1HPYRAZOL4YL)METHYL)PHENYL2FLUOROBENZOATE
432515689
CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3F)C4=C(NNC4=O)C
InChI=1SC22H19FN4O4c11117(20(28)262411)19(1812(2)252721(18)29)137914(10813)3122(30)15534616(15)23h31019H12H3(H2242628)(H2252729)
MFCD03044104
O=C(c1ccccc1F)Oc1ccc(cc1)C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C
ZINC000009014900
ZINC09014900
ZINC9014900
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