Vitas-M small molecule compound
dimethyl 5-{[(1Z)-1-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)ethyl]amino}benzene-1,3-dicarboxylate
Catalog ID
STK261966
SMILES COC(=O)c1cc(cc(c1)C(=O)OC)N/C(=C\1/C(=NN(C1=O)c1ccccc1)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 C22H21N3O5 MW 407.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O5/c1-13(19-14(2)24-25(20(19)26)18-8-6-5-7-9-18)23-17-11-15(21(27)29-3)10-16(12-17)22(28)30-4/h5-12,23H,1-4H3/b19-13-InChIKey
KTHOIDYDGZOQNW-UYRXBGFRSA-NSynonyms
(E)dimethyl5((1(3methyl5oxo1phenyl1Hpyrazol4(5H)ylidene)ethyl)amino)isophthalate
CC1=NN(C(=O)C1=C(C)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C3=CC=CC=C3
COC(=O)c1cc(cc(c1)C(=O)OC)NC(=C1C(=NN(C1=O)c1ccccc1)C)C
dimethyl5(((1Z)1(3methyl5oxo1phenyl15dihydro4Hpyrazol4ylidene)ethyl)amino)benzene13dicarboxylate
dimethyl5(((1Z)1(3methyl5oxo1phenylpyrazol4ylidene)ethyl)amino)benzene13dicarboxylate
InChI=1SC22H21N3O5c113(1914(2)2425(20(19)26)188657918)23171115(21(27)293)1016(1217)22(28)304h51223H14H3b1913
METHYL3(METHOXYCARBONYL)5(((3METHYL5OXO1PHENYL(12DIAZOLIN4YLIDENE))ETHYL)AMINO)BENZOATE
MFCD08548237
ZINC000100423108
ZINC100423108
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