Vitas-M small molecule compound
(4E)-4-[(1-cyclopentyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL439736
SMILES CC1=NN(C(=O)/C/1=C/c1cc(n(c1C)C1CCCC1)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 C22H25N3O MW 347.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O/c1-15-13-18(17(3)24(15)19-9-7-8-10-19)14-21-16(2)23-25(22(21)26)20-11-5-4-6-12-20/h4-6,11-14,19H,7-10H2,1-3H3/b21-14+InChIKey
NSWSUTIHAPMGMI-KGENOOAVSA-NSynonyms
(4E)4((1cyclopentyl25dimethyl1Hpyrrol3yl)methylidene)5methyl2phenyl24dihydro3Hpyrazol3one
(4E)4((1CYCLOPENTYL25DIMETHYLPYRROL3YL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
CC1=CC(=C(N1C2CCCC2)C)C=C3C(=NN(C3=O)C4=CC=CC=C4)C
CC1=NN(C(=O)C1=Cc1cc(n(c1C)C1CCCC1)C)c1ccccc1
InChI=1SC22H25N3Oc1151318(17(3)24(15)199781019)142116(2)2325(22(21)26)20115461220h46111419H710H213H3b2114+
MFCD06240692
ZINC000001408385
ZINC1408385
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