Vitas-M small molecule compound
(4E)-4-(2,3-dimethoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK140388
SMILES COc1c(cccc1OC)/C=C/1\C(=NN(C1=O)c1ccccc1)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 C19H18N2O3 MW 322.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O3/c1-13-16(12-14-8-7-11-17(23-2)18(14)24-3)19(22)21(20-13)15-9-5-4-6-10-15/h4-12H,1-3H3/b16-12+InChIKey
IAXVYPJKYGNFGR-FOWTUZBSSA-NSynonyms
(4E)4((23DIMETHOXYPHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(23DIMETHOXYBENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CC1=NN(C(=O)C1=CC2=C(C(=CC=C2)OC)OC)C3=CC=CC=C3
COc1c(cccc1OC)C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC19H18N2O3c11316(1214871117(232)18(14)243)19(22)21(2013)1595461015h412H13H3b1612+
MFCD03238856
ZINC000005766000
ZINC05766000
ZINC5766000
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