Vitas-M small molecule compound

methyl (2E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoate

Catalog ID
STK035960
SMILES [O-][N+](=O)c1cc(/C=C(/C(=O)OC)\C#N)c(cc1)Cl

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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 C11H7ClN2O4 MW 266.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H7ClN2O4/c1-18-11(15)8(6-13)4-7-5-9(14(16)17)2-3-10(7)12/h2-5H,1H3/b8-4+
InChIKey
YWRHZLMIBIYRHS-XBXARRHUSA-N
Synonyms

(E)2CYANO3(2CHLORO5NITROPHENYL)PROPENOICACIDMETHYLESTER
(O)(N+)(=O)c1cc(C=C(C(=O)OC)C#N)c(cc1)Cl
COC(=O)C(=CC1=C(C=CC(=C1)(N+)(=O)(O))Cl)C#N
InChI=1SC11H7ClN2O4c11811(15)8(613)4759(14(16)17)2310(7)12h25H1H3b84+
METHYL(2E)3(2CHLORO5NITROPHENYL)2CYANOPROP2ENOATE
METHYL(E)3(2CHLORO5NITROPHENYL)2CYANOPROP2ENOATE
MFCD01055638
STK035960
ZINC000000125538
ZINC00125538
ZINC125538

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.