Vitas-M small molecule compound

ethyl (2E)-3-amino-4,4,4-trichloro-2-[(4-methoxyphenyl)carbonyl]but-2-enoate

Catalog ID
STK151488
SMILES CCOC(=O)/C(=C(\C(Cl)(Cl)Cl)/N)/C(=O)c1ccc(cc1)OC

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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 C14H14Cl3NO4 MW 366.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14Cl3NO4/c1-3-22-13(20)10(12(18)14(15,16)17)11(19)8-4-6-9(21-2)7-5-8/h4-7H,3,18H2,1-2H3/b12-10+
InChIKey
ZOSHXZLTFKLPFC-ZRDIBKRKSA-N
Synonyms

CCOC(=O)C(=C(C(Cl)(Cl)Cl)N)C(=O)C1=CC=C(C=C1)OC
CCOC(=O)C(=C(C(Cl)(Cl)Cl)N)C(=O)c1ccc(cc1)OC
ETHYL(2E)3AMINO444TRICHLORO2((4METHOXYPHENYL)CARBONYL)BUT2ENOATE
ETHYL(E)3AMINO444TRICHLORO2(4METHOXYBENZOYL)BUT2ENOATE
InChI=1SC14H14Cl3NO4c132213(20)10(12(18)14(1516)17)11(19)8469(212)758h47H318H212H3b1210+
MFCD03586106
ZINC000100963407
ZINC100963407

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Available files

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