Vitas-M small molecule compound

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

Catalog ID
STK844027
SMILES N#C/C(=C\c1ccc(cc1)C(=O)OC)/c1scc(n1)c1ccc(cc1)[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)15-4-2-13(3-5-15)10-16(11-21)19-22-18(12-28-19)14-6-8-17(9-7-14)23(25)26/h2-10,12H,1H3/b16-10+
InChIKey
ZFRHXSREHMXGCL-MHWRWJLKSA-N
Synonyms
683250-08-0
(E)methyl4(2cyano2(4(4nitrophenyl)thiazol2yl)vinyl)benzoate
683250080
COC(=O)C1=CC=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC20H13N3O4Sc12720(24)154213(3515)1016(1121)192218(122819)146817(9714)23(25)26h21012H1H3b1610+
methyl4((E)2cyano2(4(4nitrophenyl)13thiazol2yl)ethenyl)benzoate
MFCD03672837
N#CC(=Cc1ccc(cc1)C(=O)OC)c1scc(n1)c1ccc(cc1)(N+)(=O)(O)
ZINC000004263918
ZINC04263918
ZINC4263918

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Available files

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