Vitas-M small molecule compound
dimethyl 5-{[(1E)-3-(2,5-dimethylphenyl)-3-oxoprop-1-en-1-yl]amino}benzene-1,3-dicarboxylate
Catalog ID
STK902680
SMILES COC(=O)c1cc(N/C=C/C(=O)c2cc(C)ccc2C)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 C21H21NO5 MW 367.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO5/c1-13-5-6-14(2)18(9-13)19(23)7-8-22-17-11-15(20(24)26-3)10-16(12-17)21(25)27-4/h5-12,22H,1-4H3/b8-7+InChIKey
WXFYTPZFAQIWRX-BQYQJAHWSA-NSynonyms
CC1=CC(=C(C=C1)C)C(=O)C=CNC2=CC(=CC(=C2)C(=O)OC)C(=O)OC
COC(=O)c1cc(NC=CC(=O)c2cc(C)ccc2C)cc(c1)C(=O)OC
dimethyl5(((1E)3(25dimethylphenyl)3oxoprop1en1yl)amino)benzene13dicarboxylate
dimethyl5(((E)3(25dimethylphenyl)3oxoprop1enyl)amino)benzene13dicarboxylate
InChI=1SC21H21NO5c1135614(2)18(913)19(23)7822171115(20(24)263)1016(1217)21(25)274h51222H14H3b87+
MFCD18175188
ZINC000044844473
ZINC44844473
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