Vitas-M small molecule compound

propan-2-yl 4-{(4Z)-3-methyl-4-[4-(morpholin-4-yl)benzylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate

Catalog ID
STK380866
SMILES CC(OC(=O)c1ccc(cc1)N1N=C(/C(=C/c2ccc(cc2)N2CCOCC2)/C1=O)C)C

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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 C25H27N3O4 MW 433.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O4/c1-17(2)32-25(30)20-6-10-22(11-7-20)28-24(29)23(18(3)26-28)16-19-4-8-21(9-5-19)27-12-14-31-15-13-27/h4-11,16-17H,12-15H2,1-3H3/b23-16-
InChIKey
XWTPDMCOFIDURW-KQWNVCNZSA-N
Synonyms

CC(OC(=O)c1ccc(cc1)N1N=C(C(=Cc2ccc(cc2)N2CCOCC2)C1=O)C)C
CC1=NN(C(=O)C1=CC2=CC=C(C=C2)N3CCOCC3)C4=CC=C(C=C4)C(=O)OC(C)C
InChI=1SC25H27N3O4c117(2)3225(30)2061022(11720)2824(29)23(18(3)2628)16194821(9519)27121431151327h4111617H1215H213H3b2316
METHYLETHYL4(3METHYL4((4MORPHOLIN4YLPHENYL)METHYLENE)5OXO12DIAZOLINYL)BENZOATE
MFCD02314930
PROPAN2YL4((4Z)3METHYL4((4MORPHOLIN4YLPHENYL)METHYLIDENE)5OXOPYRAZOL1YL)BENZOATE
propan2yl4((4Z)3methyl4(4(morpholin4yl)benzylidene)5oxo45dihydro1Hpyrazol1yl)benzoate
ZINC000013286141
ZINC13286141

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Available files

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