Vitas-M small molecule compound
(2E)-2-cyano-3-(4-hydroxy-3-nitrophenyl)-N-(4-methoxy-2-nitrophenyl)prop-2-enamide
Catalog ID
STL405740
SMILES COc1ccc(c(c1)[N+](=O)[O-])NC(=O)/C(=C/c1ccc(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 C17H12N4O7 MW 384.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N4O7/c1-28-12-3-4-13(14(8-12)20(24)25)19-17(23)11(9-18)6-10-2-5-16(22)15(7-10)21(26)27/h2-8,22H,1H3,(H,19,23)/b11-6+InChIKey
JPQFERHQNDEELG-IZZDOVSWSA-NSynonyms
(2E)2cyano3(4hydroxy3nitrophenyl)N(4methoxy2nitrophenyl)prop2enamide
(E)2cyano3(4hydroxy3nitrophenyl)N(4methoxy2nitrophenyl)prop2enamide
COC1=CC(=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)O)(N+)(=O)(O))C#N)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))NC(=O)C(=Cc1ccc(c(c1)(N+)(=O)(O))O)C#N
InChI=1SC17H12N4O7c128123413(14(812)20(24)25)1917(23)11(918)6102516(22)15(710)21(26)27h2822H1H3(H1923)b116+
MFCD28951293
ZINC000098087420
ZINC98087420
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