Vitas-M small molecule compound
2-{(1E)-2-cyano-3-[(2-methoxy-4-nitrophenyl)amino]-3-oxoprop-1-en-1-yl}phenyl 4-methoxybenzoate
Catalog ID
STK522793
SMILES COc1ccc(cc1)C(=O)Oc1ccccc1/C=C(/C(=O)Nc1ccc(cc1OC)[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 C25H19N3O7 MW 473.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N3O7/c1-33-20-10-7-16(8-11-20)25(30)35-22-6-4-3-5-17(22)13-18(15-26)24(29)27-21-12-9-19(28(31)32)14-23(21)34-2/h3-14H,1-2H3,(H,27,29)/b18-13+InChIKey
UDXSNOHQBBDGDP-QGOAFFKASA-NSynonyms
(2((E)2CYANO3(2METHOXY4NITROANILINO)3OXOPROP1ENYL)PHENYL)4METHOXYBENZOATE
2((1E)2cyano3((2methoxy4nitrophenyl)amino)3oxoprop1en1yl)phenyl4methoxybenzoate
COC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C=C(C#N)C(=O)NC3=C(C=C(C=C3)(N+)(=O)(O))OC
COc1ccc(cc1)C(=O)Oc1ccccc1C=C(C(=O)Nc1ccc(cc1OC)(N+)(=O)(O))C#N
InChI=1SC25H19N3O7c1332010716(81120)25(30)3522643517(22)1318(1526)24(29)272112919(28(31)32)1423(21)342h314H12H3(H2729)b1813+
MFCD03155295
ZINC000015277344
ZINC15277344
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