Vitas-M small molecule compound
4,4'-{[4-(benzyloxy)-3-bromo-5-methoxyphenyl]methanediyl}bis(3-methyl-1H-pyrazol-5-ol)
Catalog ID
STK117341
SMILES COc1cc(cc(c1OCc1ccccc1)Br)C(c1c(C)n[nH]c1O)c1c(C)n[nH]c1O
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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 C23H23BrN4O4 MW 499.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23BrN4O4/c1-12-18(22(29)27-25-12)20(19-13(2)26-28-23(19)30)15-9-16(24)21(17(10-15)31-3)32-11-14-7-5-4-6-8-14/h4-10,20H,11H2,1-3H3,(H2,25,27,29)(H2,26,28,30)InChIKey
AJKPHIHIKKOKAU-UHFFFAOYSA-NSynonyms
4((3BROMO5METHOXY4PHENYLMETHOXYPHENYL)(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)5METHYL12DIHYDROPYRAZOL3ONE
44((4(BENZYLOXY)3BROMO5METHOXYPHENYL)METHANEDIYL)BIS(3METHYL1HPYRAZOL5OL)
CC1=C(C(=O)NN1)C(C2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC)C4=C(NNC4=O)C
COc1cc(cc(c1OCc1ccccc1)Br)C(c1c(C)n(nH)c1O)c1c(C)n(nH)c1O
InChI=1SC23H23BrN4O4c11218(22(29)272512)20(1913(2)262823(19)30)15916(24)21(17(1015)313)3211147546814h41020H11H213H3(H2252729)(H2262830)
MFCD08671288
ZINC000009805793
ZINC09805793
ZINC9805793
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