Vitas-M small molecule compound
(4Z)-4-[3-methoxy-2-(propan-2-yloxy)benzylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK177944
SMILES COc1cccc(c1OC(C)C)/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 C21H22N2O3 MW 350.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3/c1-14(2)26-20-16(9-8-12-19(20)25-4)13-18-15(3)22-23(21(18)24)17-10-6-5-7-11-17/h5-14H,1-4H3/b18-13-InChIKey
VERWNACHOLFUNT-AQTBWJFISA-NSynonyms
(4Z)4((3METHOXY2PROPAN2YLOXYPHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4Z)4(3METHOXY2(PROPAN2YLOXY)BENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CC1=NN(C(=O)C1=CC2=C(C(=CC=C2)OC)OC(C)C)C3=CC=CC=C3
COc1cccc(c1OC(C)C)C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC21H22N2O3c114(2)262016(981219(20)254)131815(3)2223(21(18)24)17106571117h514H14H3b1813
MFCD03141884
ZINC000004704777
ZINC04704777
ZINC4704777
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