Vitas-M small molecule compound
ethyl 3-(3-{(1E)-2-cyano-3-[(2,4-dichlorophenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Catalog ID
STK025827
SMILES CCOC(=O)c1cccc(c1)n1c(C)cc(c1C)/C=C(/C(=O)Nc1ccc(cc1Cl)Cl)\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 C25H21Cl2N3O3 MW 482.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21Cl2N3O3/c1-4-33-25(32)17-6-5-7-21(12-17)30-15(2)10-18(16(30)3)11-19(14-28)24(31)29-23-9-8-20(26)13-22(23)27/h5-13H,4H2,1-3H3,(H,29,31)/b19-11+InChIKey
RVIRDMUMQXAHSD-YBFXNURJSA-NSynonyms
CCOC(=O)C1=CC(=CC=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)NC3=C(C=C(C=C3)Cl)Cl)C
CCOC(=O)c1cccc(c1)n1c(C)cc(c1C)C=C(C(=O)Nc1ccc(cc1Cl)Cl)C#N
ETHYL3(3((1E)2CYANO3((24DICHLOROPHENYL)AMINO)3OXOPROP1EN1YL)25DIMETHYL1HPYRROL1YL)BENZOATE
ETHYL3(3((E)2CYANO3(24DICHLOROANILINO)3OXOPROP1ENYL)25DIMETHYLPYRROL1YL)BENZOATE
InChI=1SC25H21Cl2N3O3c143325(32)1765721(1217)3015(2)1018(16(30)3)1119(1428)24(31)29239820(26)1322(23)27h513H4H213H3(H2931)b1911+
MFCD03243086
STK025827
ZINC000009113216
ZINC09113216
ZINC9113216
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