Vitas-M small molecule compound
(4E)-4-(3-iodo-4,5-dimethoxybenzylidene)-5-methyl-2-(3-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK957593
SMILES COc1c(I)cc(cc1OC)/C=C/1\C(=NN(C1=O)c1cccc(c1)C)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 C20H19IN2O3 MW 462.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19IN2O3/c1-12-6-5-7-15(8-12)23-20(24)16(13(2)22-23)9-14-10-17(21)19(26-4)18(11-14)25-3/h5-11H,1-4H3/b16-9+InChIKey
QTLFNFZKKVUNMX-CXUHLZMHSA-NSynonyms
353478-58-7(4E)4((3IODO45DIMETHOXYPHENYL)METHYLIDENE)5METHYL2(3METHYLPHENYL)PYRAZOL3ONE
(4E)4(3iodo45dimethoxybenzylidene)5methyl2(3methylphenyl)24dihydro3Hpyrazol3one
353478587
CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)I)OC)OC)C(=N2)C
COc1c(I)cc(cc1OC)C=C1C(=NN(C1=O)c1cccc(c1)C)C
InChI=1SC20H19IN2O3c11265715(812)2320(24)16(13(2)2223)9141017(21)19(264)18(1114)253h511H14H3b169+
MFCD01647794
ZINC000015930351
ZINC15930351
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