Vitas-M small molecule compound
4-{(1E)-2-cyano-3-[(3-nitrophenyl)amino]-3-oxoprop-1-en-1-yl}phenyl benzoate
Catalog ID
STK949808
SMILES N#C/C(=C\c1ccc(cc1)OC(=O)c1ccccc1)/C(=O)Nc1cccc(c1)[N+](=O)[O-]
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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 C23H15N3O5 MW 413.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15N3O5/c24-15-18(22(27)25-19-7-4-8-20(14-19)26(29)30)13-16-9-11-21(12-10-16)31-23(28)17-5-2-1-3-6-17/h1-14H,(H,25,27)/b18-13+InChIKey
PULSTDAZTCHBJJ-QGOAFFKASA-NSynonyms
(4((E)2cyano3(3nitroanilino)3oxoprop1enyl)phenyl)benzoate
4((1E)2CYANO2(N(3NITROPHENYL)CARBAMOYL)VINYL)PHENYLBENZOATE
4((1E)2cyano3((3nitrophenyl)amino)3oxoprop1en1yl)phenylbenzoate
C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC23H15N3O5c241518(22(27)251974820(1419)26(29)30)131691121(121016)3123(28)175213617h114H(H2527)b1813+
MFCD02364619
N#CC(=Cc1ccc(cc1)OC(=O)c1ccccc1)C(=O)Nc1cccc(c1)(N+)(=O)(O)
ZINC000000948729
ZINC00948729
ZINC948729
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