Vitas-M small molecule compound

methyl 4-{(Z)-2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}benzoate

Catalog ID
STK844779
SMILES N#C/C(=C/c1ccc(cc1)C(=O)OC)/c1scc(n1)c1cccc(c1)[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 C20H13N3O4S MW 391.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13N3O4S/c1-27-20(24)14-7-5-13(6-8-14)9-16(11-21)19-22-18(12-28-19)15-3-2-4-17(10-15)23(25)26/h2-10,12H,1H3/b16-9-
InChIKey
FNZGORHAWQRVGG-SXGWCWSVSA-N
Synonyms

(Z)methyl4(2cyano2(4(3nitrophenyl)thiazol2yl)vinyl)benzoate
COC(=O)C1=CC=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC20H13N3O4Sc12720(24)147513(6814)916(1121)192218(122819)1532417(1015)23(25)26h21012H1H3b169
methyl4((Z)2cyano2(4(3nitrophenyl)13thiazol2yl)ethenyl)benzoate
MFCD03670845
N#CC(=Cc1ccc(cc1)C(=O)OC)c1scc(n1)c1cccc(c1)(N+)(=O)(O)
ZINC000013658606
ZINC13658606

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Available files

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