Vitas-M small molecule compound
2-(diethylamino)ethyl 4-[(4,5-dicyano-2-nitrophenyl)amino]benzoate
Catalog ID
STK662105
SMILES CCN(CCOC(=O)c1ccc(cc1)Nc1cc(C#N)c(cc1[N+](=O)[O-])C#N)CC
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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 C21H21N5O4 MW 407.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O4/c1-3-25(4-2)9-10-30-21(27)15-5-7-18(8-6-15)24-19-11-16(13-22)17(14-23)12-20(19)26(28)29/h5-8,11-12,24H,3-4,9-10H2,1-2H3InChIKey
KRTZIBQWTPQWOQ-UHFFFAOYSA-NSynonyms
881582-16-72(diethylamino)ethyl4((45dicyano2nitrophenyl)amino)benzoate
2(diethylamino)ethyl4(45dicyano2nitroanilino)benzoate
2DIETHYLAMINOETHYL4(45DICYANO2NITROANILINO)BENZOATE
881582167
CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC2=C(C=C(C(=C2)C#N)C#N)(N+)(=O)(O)
CCN(CCOC(=O)c1ccc(cc1)Nc1cc(C#N)c(cc1(N+)(=O)(O))C#N)CC
InChI=1SC21H21N5O4c1325(42)9103021(27)155718(8615)24191116(1322)17(1423)1220(19)26(28)29h58111224H34910H212H3
MFCD06617536
ZINC000004708103
ZINC4708103
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