Vitas-M small molecule compound
4-{(1E)-2-cyano-3-[(2-methyl-4-nitrophenyl)amino]-3-oxoprop-1-en-1-yl}phenyl 4-methoxybenzoate
Catalog ID
STL382699
SMILES COc1ccc(cc1)C(=O)Oc1ccc(cc1)/C=C(/C(=O)Nc1ccc(cc1C)[N+](=O)[O-])\C#N
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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 C25H19N3O6 MW 457.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N3O6/c1-16-13-20(28(31)32)7-12-23(16)27-24(29)19(15-26)14-17-3-8-22(9-4-17)34-25(30)18-5-10-21(33-2)11-6-18/h3-14H,1-2H3,(H,27,29)/b19-14+InChIKey
OKHHCCFIMHYBLV-XMHGGMMESA-NSynonyms
(4((E)2CYANO3(2METHYL4NITROANILINO)3OXOPROP1ENYL)PHENYL)4METHOXYBENZOATE
4((1E)2CYANO2(N(2METHYL4NITROPHENYL)CARBAMOYL)VINYL)PHENYL4METHOXYBENZOATE
4((1E)2cyano3((2methyl4nitrophenyl)amino)3oxoprop1en1yl)phenyl4methoxybenzoate
CC1=C(C=CC(=C1)(N+)(=O)(O))NC(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OC)C#N
COc1ccc(cc1)C(=O)Oc1ccc(cc1)C=C(C(=O)Nc1ccc(cc1C)(N+)(=O)(O))C#N
InChI=1SC25H19N3O6c1161320(28(31)32)71223(16)2724(29)19(1526)14173822(9417)3425(30)1851021(332)11618h314H12H3(H2729)b1914+
MFCD02731593
ZINC000009057355
ZINC09057355
ZINC9057355
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