Vitas-M small molecule compound
4,4'-{[3-bromo-5-methoxy-4-(propan-2-yloxy)phenyl]methanediyl}bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
Catalog ID
STL172439
SMILES COc1cc(cc(c1OC(C)C)Br)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 C33H35BrN4O4 MW 631.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35BrN4O4/c1-20(2)42-31-26(34)18-23(19-27(31)41-7)30(28-21(3)35(5)37(32(28)39)24-14-10-8-11-15-24)29-22(4)36(6)38(33(29)40)25-16-12-9-13-17-25/h8-20,30H,1-7H3InChIKey
PAJHLWNTJYSFJE-UHFFFAOYSA-NSynonyms
4((3bromo5methoxy4propan2yloxyphenyl)(15dimethyl3oxo2phenylpyrazol4yl)methyl)15dimethyl2phenylpyrazol3one
44((3bromo5methoxy4(propan2yloxy)phenyl)methanediyl)bis(15dimethyl2phenyl12dihydro3Hpyrazol3one)
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC(=C(C(=C3)Br)OC(C)C)OC)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C
InChI=1SC33H35BrN4O4c120(2)423126(34)1823(1927(31)417)30(2821(3)35(5)37(32(28)39)2414108111524)2922(4)36(6)38(33(29)40)2516129131725h82030H17H3
MFCD04047556
ZINC000097959963
ZINC97959963
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