Vitas-M small molecule compound
4,4'-[(3,5-dibromo-2-hydroxy-4-methoxyphenyl)methanediyl]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
Catalog ID
STK509747
SMILES COc1c(Br)cc(c(c1Br)O)C(c1c(=O)n(n(c1C)C)c1ccccc1)c1c(=O)n(n(c1C)C)c1ccccc1
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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 C30H28Br2N4O4 MW 668.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28Br2N4O4/c1-17-23(29(38)35(33(17)3)19-12-8-6-9-13-19)25(21-16-22(31)28(40-5)26(32)27(21)37)24-18(2)34(4)36(30(24)39)20-14-10-7-11-15-20/h6-16,25,37H,1-5H3InChIKey
JHQMXJJDDOVTQM-UHFFFAOYSA-NSynonyms
4((35dibromo2hydroxy4methoxyphenyl)(15dimethyl3oxo2phenylpyrazol4yl)methyl)15dimethyl2phenylpyrazol3one
44((35dibromo2hydroxy4methoxyphenyl)methanediyl)bis(15dimethyl2phenyl12dihydro3Hpyrazol3one)
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC(=C(C(=C3O)Br)OC)Br)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C
InChI=1SC30H28Br2N4O4c11723(29(38)35(33(17)3)19128691319)25(211622(31)28(405)26(32)27(21)37)2418(2)34(4)36(30(24)39)2014107111520h6162537H15H3
MFCD13370078
ZINC000150404474
ZINC150404474
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