Vitas-M small molecule compound
4-{(1E)-2-cyano-3-[(2-methoxy-4-nitrophenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenyl benzoate
Catalog ID
STL383489
SMILES N#C/C(=C\c1ccc(c(c1)OC)OC(=O)c1ccccc1)/C(=O)Nc1ccc(cc1OC)[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 C25H19N3O7 MW 473.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N3O7/c1-33-22-14-19(28(31)32)9-10-20(22)27-24(29)18(15-26)12-16-8-11-21(23(13-16)34-2)35-25(30)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,27,29)/b18-12+InChIKey
FTZHOHYMIQXMTJ-LDADJPATSA-NSynonyms
(4((E)2CYANO3(2METHOXY4NITROANILINO)3OXOPROP1ENYL)2METHOXYPHENYL)BENZOATE
4((1E)2cyano3((2methoxy4nitrophenyl)amino)3oxoprop1en1yl)2methoxyphenylbenzoate
COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C=C(C=C2)(N+)(=O)(O))OC)OC(=O)C3=CC=CC=C3
InChI=1SC25H19N3O7c133221419(28(31)32)91020(22)2724(29)18(1526)121681121(23(1316)342)3525(30)176435717h314H12H3(H2729)b1812+
MFCD03158049
N#CC(=Cc1ccc(c(c1)OC)OC(=O)c1ccccc1)C(=O)Nc1ccc(cc1OC)(N+)(=O)(O)
ZINC000012590218
ZINC12590218
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