Vitas-M small molecule compound

dimethyl 5-{[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzene-1,3-dicarboxylate

Catalog ID
STK897992
SMILES COC(=O)c1cc(N/C=C\2/C(=NN(C2=O)c2ccccc2)C)cc(c1)C(=O)OC

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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 C21H19N3O5 MW 393.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O5/c1-13-18(19(25)24(23-13)17-7-5-4-6-8-17)12-22-16-10-14(20(26)28-2)9-15(11-16)21(27)29-3/h4-12,22H,1-3H3/b18-12-
InChIKey
WXVMIBJWMBRTJM-PDGQHHTCSA-N
Synonyms

CC1=NN(C(=O)C1=CNC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C3=CC=CC=C3
COC(=O)c1cc(NC=C2C(=NN(C2=O)c2ccccc2)C)cc(c1)C(=O)OC
dimethyl5(((Z)(3methyl5oxo1phenyl15dihydro4Hpyrazol4ylidene)methyl)amino)benzene13dicarboxylate
dimethyl5(((Z)(3methyl5oxo1phenylpyrazol4ylidene)methyl)amino)benzene13dicarboxylate
InChI=1SC21H19N3O5c11318(19(25)24(2313)177546817)1222161014(20(26)282)915(1116)21(27)293h41222H13H3b1812
MFCD03672299
ZINC000006366405
ZINC06366405
ZINC6366405

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Available files

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