Vitas-M small molecule compound
butyl 4-{[(4-chlorophenyl)(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]amino}benzoate
Catalog ID
STK527427
SMILES CCCCOC(=O)c1ccc(cc1)NC(c1c(C)n(n(c1=O)c1ccccc1)C)c1ccc(cc1)Cl
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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 C29H30ClN3O3 MW 504.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30ClN3O3/c1-4-5-19-36-29(35)22-13-17-24(18-14-22)31-27(21-11-15-23(30)16-12-21)26-20(2)32(3)33(28(26)34)25-9-7-6-8-10-25/h6-18,27,31H,4-5,19H2,1-3H3InChIKey
XPZSBFJHUJUHFD-UHFFFAOYSA-NSynonyms
305864-61-3305864613
butyl4(((4chlorophenyl)(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)methyl)amino)benzoate
BUTYL4(((4CHLOROPHENYL)(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)METHYL)AMINO)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)NC(C2=CC=C(C=C2)Cl)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C
InChI=1SC29H30ClN3O3c145193629(35)22131724(181422)3127(21111523(30)161221)2620(2)32(3)33(28(26)34)2597681025h6182731H4519H213H3
MFCD01087000
ZINC000002256938
ZINC000002256939
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