Vitas-M small molecule compound
4-{(1E)-3-[(4-chloro-2-nitrophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}phenyl benzoate
Catalog ID
STL383539
SMILES N#C/C(=C\c1ccc(cc1)OC(=O)c1ccccc1)/C(=O)Nc1ccc(cc1[N+](=O)[O-])Cl
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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 C23H14ClN3O5 MW 447.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H14ClN3O5/c24-18-8-11-20(21(13-18)27(30)31)26-22(28)17(14-25)12-15-6-9-19(10-7-15)32-23(29)16-4-2-1-3-5-16/h1-13H,(H,26,28)/b17-12+InChIKey
NNROHSFCTFANCO-SFQUDFHCSA-NSynonyms
(4((E)3(4CHLORO2NITROANILINO)2CYANO3OXOPROP1ENYL)PHENYL)BENZOATE
4((1E)2(N(4CHLORO2NITROPHENYL)CARBAMOYL)2CYANOVINYL)PHENYLBENZOATE
4((1E)3((4chloro2nitrophenyl)amino)2cyano3oxoprop1en1yl)phenylbenzoate
C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=C(C=C(C=C3)Cl)(N+)(=O)(O)
InChI=1SC23H14ClN3O5c241881120(21(1318)27(30)31)2622(28)17(1425)12156919(10715)3223(29)164213516h113H(H2628)b1712+
MFCD02731700
N#CC(=Cc1ccc(cc1)OC(=O)c1ccccc1)C(=O)Nc1ccc(cc1(N+)(=O)(O))Cl
ZINC000009057428
ZINC09057428
ZINC9057428
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