Vitas-M small molecule compound
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl 3-bromobenzoate
Catalog ID
STK025125
SMILES COc1cc(ccc1OC(=O)c1cccc(c1)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)13-7-8-16(17(10-13)32-3)33-23(31)14-5-4-6-15(24)9-14/h4-10,20H,1-3H3,(H2,25,27,29)(H2,26,28,30)InChIKey
AMQUBVKPHACYEK-UHFFFAOYSA-NSynonyms
879453-25-5(4(BIS(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)2METHOXYPHENYL)3BROMOBENZOATE
4(BIS(5HYDROXY3METHYL1HPYRAZOL4YL)METHYL)2METHOXYPHENYL3BROMOBENZOATE
879453255
CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)Br)OC)C4=C(NNC4=O)C
COc1cc(ccc1OC(=O)c1cccc(c1)Br)C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C
InChI=1SC23H21BrN4O5c11118(21(29)272511)20(1912(2)262822(19)30)137816(17(1013)323)3323(31)1454615(24)914h41020H13H3(H2252729)(H2262830)
MFCD03293695
STK025125
ZINC000009012191
ZINC09012191
ZINC9012191
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