Vitas-M small molecule compound
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl 2-fluorobenzoate
Catalog ID
STK014209
SMILES COc1cc(ccc1OC(=O)c1ccccc1F)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 C23H21FN4O5 MW 452.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21FN4O5/c1-11-18(21(29)27-25-11)20(19-12(2)26-28-22(19)30)13-8-9-16(17(10-13)32-3)33-23(31)14-6-4-5-7-15(14)24/h4-10,20H,1-3H3,(H2,25,27,29)(H2,26,28,30)InChIKey
KFQMTCUDCSNISI-UHFFFAOYSA-NSynonyms
432498-02-7(4(BIS(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)2METHOXYPHENYL)2FLUOROBENZOATE
4(BIS(5HYDROXY3METHYL1HPYRAZOL4YL)METHYL)2METHOXYPHENYL2FLUOROBENZOATE
432498027
CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3F)OC)C4=C(NNC4=O)C
COc1cc(ccc1OC(=O)c1ccccc1F)C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C
InChI=1SC23H21FN4O5c11118(21(29)272511)20(1912(2)262822(19)30)138916(17(1013)323)3323(31)14645715(14)24h41020H13H3(H2252729)(H2262830)
MFCD03119597
STK014209
ZINC000019907742
ZINC19907742
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