Vitas-M small molecule compound
ethyl 4-{3-[(1E)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Catalog ID
STK794919
SMILES CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)/C=C(/C(=O)Nc1ccccc1)\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 C25H23N3O3 MW 413.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O3/c1-4-31-25(30)19-10-12-23(13-11-19)28-17(2)14-20(18(28)3)15-21(16-26)24(29)27-22-8-6-5-7-9-22/h5-15H,4H2,1-3H3,(H,27,29)/b21-15+InChIKey
PZTQZDIHYVBMLW-RCCKNPSSSA-NSynonyms
347371-02-2(E)ethyl4(3(2cyano3oxo3(phenylamino)prop1en1yl)25dimethyl1Hpyrrol1yl)benzoate
347371022
CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)NC3=CC=CC=C3)C
CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)C=C(C(=O)Nc1ccccc1)C#N
ethyl4(3((1E)2cyano3oxo3(phenylamino)prop1en1yl)25dimethyl1Hpyrrol1yl)benzoate
ETHYL4(3((E)3ANILINO2CYANO3OXOPROP1ENYL)25DIMETHYLPYRROL1YL)BENZOATE
InChI=1SC25H23N3O3c143125(30)19101223(131119)2817(2)1420(18(28)3)1521(1626)24(29)27228657922h515H4H213H3(H2729)b2115+
MFCD01800657
ZINC000002308907
ZINC02308907
ZINC2308907
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