Vitas-M small molecule compound
4-{(1E)-2-cyano-3-[(4-nitrophenyl)amino]-3-oxoprop-1-en-1-yl}phenyl benzoate
Catalog ID
STL383594
SMILES N#C/C(=C\c1ccc(cc1)OC(=O)c1ccccc1)/C(=O)Nc1ccc(cc1)[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)25-19-8-10-20(11-9-19)26(29)30)14-16-6-12-21(13-7-16)31-23(28)17-4-2-1-3-5-17/h1-14H,(H,25,27)/b18-14+InChIKey
FHTWBATUWKRJNP-NBVRZTHBSA-NSynonyms
(4((E)2CYANO3(4NITROANILINO)3OXOPROP1ENYL)PHENYL)BENZOATE
4((1E)2CYANO2(N(4NITROPHENYL)CARBAMOYL)VINYL)PHENYLBENZOATE
4((1E)2cyano3((4nitrophenyl)amino)3oxoprop1en1yl)phenylbenzoate
BENZOICACID4(2CYANO2(4NITROPHENYLCARBAMOYL)VINYL)PHENYLESTER
C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC23H15N3O5c241518(22(27)251981020(11919)26(29)30)141661221(13716)3123(28)174213517h114H(H2527)b1814+
MFCD02225174
N#CC(=Cc1ccc(cc1)OC(=O)c1ccccc1)C(=O)Nc1ccc(cc1)(N+)(=O)(O)
ZINC000004953750
ZINC04953750
ZINC4953750
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