Vitas-M small molecule compound
(2E)-2-cyano-3-(3,5-dichloro-4-methoxyphenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
Catalog ID
STK064137
SMILES N#C/C(=C\c1cc(Cl)c(c(c1)Cl)OC)/C(=O)Nc1cc(ccc1C)[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 C18H13Cl2N3O4 MW 406.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13Cl2N3O4/c1-10-3-4-13(23(25)26)8-16(10)22-18(24)12(9-21)5-11-6-14(19)17(27-2)15(20)7-11/h3-8H,1-2H3,(H,22,24)/b12-5+InChIKey
BBMHIFPHFKTMLC-LFYBBSHMSA-NSynonyms
(2E)2CYANO3(35DICHLORO4METHOXYPHENYL)N(2METHYL5NITROPHENYL)PROP2ENAMIDE
(E)2CYANO3(35DICHLORO4METHOXYPHENYL)N(2METHYL5NITROPHENYL)PROP2ENAMIDE
CC1=C(C=C(C=C1)(N+)(=O)(O))NC(=O)C(=CC2=CC(=C(C(=C2)Cl)OC)Cl)C#N
InChI=1SC18H13Cl2N3O4c1103413(23(25)26)816(10)2218(24)12(921)511614(19)17(272)15(20)711h38H12H3(H2224)b125+
MFCD08051670
N#CC(=Cc1cc(Cl)c(c(c1)Cl)OC)C(=O)Nc1cc(ccc1C)(N+)(=O)(O)
STK064137
ZINC000009553752
ZINC09553752
ZINC9553752
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