Vitas-M small molecule compound
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl 4-bromobenzoate
Catalog ID
STK244777
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)Br)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 C23H21BrN4O5 MW 513.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21BrN4O5/c1-11-18(21(29)27-25-11)20(19-12(2)26-28-22(19)30)14-6-9-16(17(10-14)32-3)33-23(31)13-4-7-15(24)8-5-13/h4-10,20H,1-3H3,(H2,25,27,29)(H2,26,28,30)InChIKey
CEOJNPIWVFRETD-UHFFFAOYSA-NSynonyms
(4(bis(3methyl5oxo12dihydropyrazol4yl)methyl)2methoxyphenyl)4bromobenzoate
4(bis(5hydroxy3methyl1Hpyrazol4yl)methyl)2methoxyphenyl4bromobenzoate
CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)Br)OC)C4=C(NNC4=O)C
COc1cc(ccc1OC(=O)c1ccc(cc1)Br)C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C
InChI=1SC23H21BrN4O5c11118(21(29)272511)20(1912(2)262822(19)30)146916(17(1014)323)3323(31)134715(24)8513h41020H13H3(H2252729)(H2262830)
MFCD04509271
ZINC000009667255
ZINC09667255
ZINC9667255
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