Vitas-M small molecule compound
(4Z)-2-(3-chlorophenyl)-4-(3,4-diethoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK386281
SMILES CCOc1cc(ccc1OCC)/C=C\1/C(=NN(C1=O)c1cccc(c1)Cl)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 C21H21ClN2O3 MW 384.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O3/c1-4-26-19-10-9-15(12-20(19)27-5-2)11-18-14(3)23-24(21(18)25)17-8-6-7-16(22)13-17/h6-13H,4-5H2,1-3H3/b18-11-InChIKey
BDMDFZDNSIDGIA-WQRHYEAKSA-NSynonyms
(4Z)2(3chlorophenyl)4((34diethoxyphenyl)methylidene)5methylpyrazol3one
(4Z)2(3CHLOROPHENYL)4(34DIETHOXYBENZYLIDENE)5METHYL24DIHYDRO3HPYRAZOL3ONE
CCOC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC(=CC=C3)Cl)C)OCC
CCOc1cc(ccc1OCC)C=C1C(=NN(C1=O)c1cccc(c1)Cl)C
InChI=1SC21H21ClN2O3c14261910915(1220(19)2752)111814(3)2324(21(18)25)1786716(22)1317h613H45H213H3b1811
MFCD01157303
ZINC000023402558
ZINC23402558
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