Vitas-M small molecule compound
ethyl 4-(5-{(1E)-2-cyano-3-[(2-methyl-4-nitrophenyl)amino]-3-oxoprop-1-en-1-yl}furan-2-yl)benzoate
Catalog ID
STL383572
SMILES CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C(/C(=O)Nc1ccc(cc1C)[N+](=O)[O-])\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 C24H19N3O6 MW 445.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N3O6/c1-3-32-24(29)17-6-4-16(5-7-17)22-11-9-20(33-22)13-18(14-25)23(28)26-21-10-8-19(27(30)31)12-15(21)2/h4-13H,3H2,1-2H3,(H,26,28)/b18-13+InChIKey
MMUWQBKGDCDBHG-QGOAFFKASA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)NC3=C(C=C(C=C3)(N+)(=O)(O))C
CCOC(=O)c1ccc(cc1)c1ccc(o1)C=C(C(=O)Nc1ccc(cc1C)(N+)(=O)(O))C#N
ETHYL4(5((1E)2CYANO2(N(2METHYL4NITROPHENYL)CARBAMOYL)VINYL)2FURYL)BENZOATE
ethyl4(5((1E)2cyano3((2methyl4nitrophenyl)amino)3oxoprop1en1yl)furan2yl)benzoate
ETHYL4(5((E)2CYANO3(2METHYL4NITROANILINO)3OXOPROP1ENYL)FURAN2YL)BENZOATE
InChI=1SC24H19N3O6c133224(29)176416(5717)2211920(3322)1318(1425)23(28)262110819(27(30)31)1215(21)2h413H3H212H3(H2628)b1813+
MFCD02731588
ZINC000013387950
ZINC13387950
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