Vitas-M small molecule compound
(2E)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-N-(4-methoxy-2-nitrophenyl)prop-2-enamide
Catalog ID
STL405739
SMILES COc1ccc(c(c1)[N+](=O)[O-])NC(=O)/C(=C/c1cc(OC)c(c(c1)[N+](=O)[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 C18H14N4O8 MW 414.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N4O8/c1-29-12-3-4-13(14(8-12)21(25)26)20-18(24)11(9-19)5-10-6-15(22(27)28)17(23)16(7-10)30-2/h3-8,23H,1-2H3,(H,20,24)/b11-5+InChIKey
WJJGYPHCFQPVPD-VZUCSPMQSA-NSynonyms
(2E)2cyano3(4hydroxy3methoxy5nitrophenyl)N(4methoxy2nitrophenyl)prop2enamide
(E)2cyano3(4hydroxy3methoxy5nitrophenyl)N(4methoxy2nitrophenyl)prop2enamide
COC1=CC(=C(C=C1)NC(=O)C(=CC2=CC(=C(C(=C2)OC)O)(N+)(=O)(O))C#N)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))NC(=O)C(=Cc1cc(OC)c(c(c1)(N+)(=O)(O))O)C#N
InChI=1SC18H14N4O8c129123413(14(812)21(25)26)2018(24)11(919)510615(22(27)28)17(23)16(710)302h3823H12H3(H2024)b115+
MFCD28951292
ZINC000098087419
ZINC98087419
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