Vitas-M small molecule compound
(4Z)-2-(4-chlorophenyl)-4-[3-methoxy-4-(propan-2-yloxy)benzylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL443454
SMILES COc1cc(ccc1OC(C)C)/C=C\1/C(=NN(C1=O)c1ccc(cc1)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/c1-13(2)27-19-10-5-15(12-20(19)26-4)11-18-14(3)23-24(21(18)25)17-8-6-16(22)7-9-17/h5-13H,1-4H3/b18-11-InChIKey
WOJRNCFIPHPVMA-WQRHYEAKSA-NSynonyms
(4Z)2(4CHLOROPHENYL)4((3METHOXY4PROPAN2YLOXYPHENYL)METHYLIDENE)5METHYLPYRAZOL3ONE
(4Z)2(4chlorophenyl)4(3methoxy4(propan2yloxy)benzylidene)5methyl24dihydro3Hpyrazol3one
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC(C)C)OC)C3=CC=C(C=C3)Cl
COc1cc(ccc1OC(C)C)C=C1C(=NN(C1=O)c1ccc(cc1)Cl)C
InChI=1SC21H21ClN2O3c113(2)271910515(1220(19)264)111814(3)2324(21(18)25)178616(22)7917h513H14H3b1811
MFCD01157718
ZINC000004477136
ZINC4477136
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