Vitas-M small molecule compound
(4E)-4-(2-chloro-4,5-dimethoxybenzylidene)-2-phenyl-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL378756
SMILES CCCC1=NN(C(=O)/C/1=C/c1cc(OC)c(cc1Cl)OC)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 C21H21ClN2O3 MW 384.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O3/c1-4-8-18-16(21(25)24(23-18)15-9-6-5-7-10-15)11-14-12-19(26-2)20(27-3)13-17(14)22/h5-7,9-13H,4,8H2,1-3H3/b16-11+InChIKey
KOFSYAUSJNHBDI-LFIBNONCSA-NSynonyms
(4E)4((2CHLORO45DIMETHOXYPHENYL)METHYLIDENE)2PHENYL5PROPYLPYRAZOL3ONE
(4E)4(2chloro45dimethoxybenzylidene)2phenyl5propyl24dihydro3Hpyrazol3one
CCCC1=NN(C(=O)C1=Cc1cc(OC)c(cc1Cl)OC)c1ccccc1
CCCC1=NN(C(=O)C1=CC2=CC(=C(C=C2Cl)OC)OC)C3=CC=CC=C3
InChI=1SC21H21ClN2O3c1481816(21(25)24(2318)1596571015)11141219(262)20(273)1317(14)22h57913H48H213H3b1611+
MFCD05041316
ZINC000100316988
ZINC100316988
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