Vitas-M small molecule compound
(4E)-4-[(1-{2-hydroxy-3-[(2-methoxyphenyl)amino]propyl}-1H-indol-3-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK588864
SMILES COc1ccccc1NCC(Cn1cc(c2c1cccc2)/C=C/1\C(=NN(C1=O)c1ccccc1)C)O
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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 C29H28N4O3 MW 480.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O3/c1-20-25(29(35)33(31-20)22-10-4-3-5-11-22)16-21-18-32(27-14-8-6-12-24(21)27)19-23(34)17-30-26-13-7-9-15-28(26)36-2/h3-16,18,23,30,34H,17,19H2,1-2H3/b25-16+InChIKey
ZNRSYRVKMKUKES-PCLIKHOPSA-NSynonyms
902011-88-5(4E)4((1(2hydroxy3((2methoxyphenyl)amino)propyl)1Hindol3yl)methylidene)5methyl2phenyl24dihydro3Hpyrazol3one
(4E)4((1(2hydroxy3(2methoxyanilino)propyl)indol3yl)methylidene)5methyl2phenylpyrazol3one
(E)4((1(2hydroxy3((2methoxyphenyl)amino)propyl)1Hindol3yl)methylene)3methyl1phenyl1Hpyrazol5(4H)one
902011885
CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(CNC4=CC=CC=C4OC)O)C5=CC=CC=C5
COc1ccccc1NCC(Cn1cc(c2c1cccc2)C=C1C(=NN(C1=O)c1ccccc1)C)O
InChI=1SC29H28N4O3c12025(29(35)33(3120)22104351122)16211832(2714861224(21)27)1923(34)17302613791528(26)362h31618233034H1719H212H3b2516+
MFCD06786305
ZINC000101352294
ZINC000101352295
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