Vitas-M small molecule compound
methyl 3-{3-[(1E)-2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}-2-methylbenzoate
Catalog ID
STK393552
SMILES CCOC(=O)/C(=C/c1cc(n(c1C)c1cccc(c1C)C(=O)OC)C)/C#N
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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 C21H22N2O4 MW 366.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4/c1-6-27-20(24)17(12-22)11-16-10-13(2)23(15(16)4)19-9-7-8-18(14(19)3)21(25)26-5/h7-11H,6H2,1-5H3/b17-11+InChIKey
AVYQEXSPSIKFKH-GZTJUZNOSA-NSynonyms
CCOC(=O)C(=CC1=C(N(C(=C1)C)C2=CC=CC(=C2C)C(=O)OC)C)C#N
CCOC(=O)C(=Cc1cc(n(c1C)c1cccc(c1C)C(=O)OC)C)C#N
InChI=1SC21H22N2O4c162720(24)17(1222)11161013(2)23(15(16)4)1997818(14(19)3)21(25)265h711H6H215H3b1711+
methyl3(3((1E)2cyano3ethoxy3oxoprop1en1yl)25dimethyl1Hpyrrol1yl)2methylbenzoate
METHYL3(3((E)2CYANO3ETHOXY3OXOPROP1ENYL)25DIMETHYLPYRROL1YL)2METHYLBENZOATE
MFCD04083714
ZINC000004782555
ZINC04782555
ZINC4782555
Check stock
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Check stock on Vitas-MAvailable files
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