Vitas-M small molecule compound
(2E)-N-(5-chloro-2-methylphenyl)-2-cyano-3-(4-hydroxy-3-nitrophenyl)prop-2-enamide
Catalog ID
STK015969
SMILES N#C/C(=C\c1ccc(c(c1)[N+](=O)[O-])O)/C(=O)Nc1cc(Cl)ccc1C
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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 C17H12ClN3O4 MW 357.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12ClN3O4/c1-10-2-4-13(18)8-14(10)20-17(23)12(9-19)6-11-3-5-16(22)15(7-11)21(24)25/h2-8,22H,1H3,(H,20,23)/b12-6+InChIKey
HDXRXQBTSWPTPU-WUXMJOGZSA-NSynonyms
(2E)N(5CHLORO2METHYLPHENYL)2CYANO3(4HYDROXY3NITROPHENYL)PROP2ENAMIDE
(E)N(5CHLORO2METHYLPHENYL)2CYANO3(4HYDROXY3NITROPHENYL)PROP2ENAMIDE
CC1=C(C=C(C=C1)Cl)NC(=O)C(=CC2=CC(=C(C=C2)O)(N+)(=O)(O))C#N
InChI=1SC17H12ClN3O4c1102413(18)814(10)2017(23)12(919)6113516(22)15(711)21(24)25h2822H1H3(H2023)b126+
MFCD05625291
N#CC(=Cc1ccc(c(c1)(N+)(=O)(O))O)C(=O)Nc1cc(Cl)ccc1C
STK015969
ZINC000036104485
ZINC36104485
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