Vitas-M small molecule compound

methyl (5E)-2,2-dimethyl-4,6-dioxo-5-[(phenylamino)methylidene]cyclohexanecarboxylate

Catalog ID
STL297494
SMILES COC(=O)C1C(=O)/C(=C/Nc2ccccc2)/C(=O)CC1(C)C

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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 C17H19NO4 MW 301.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19NO4/c1-17(2)9-13(19)12(15(20)14(17)16(21)22-3)10-18-11-7-5-4-6-8-11/h4-8,10,14,18H,9H2,1-3H3/b12-10+
InChIKey
NEUPJYPNCIZVOQ-ZRDIBKRKSA-N
Synonyms

22DIMETHYL46DIOXO5PHENYLAMINOMETHYLENECYCLOHEXANECARBOXYLICACIDMETHYL
CC1(CC(=O)C(=CNC2=CC=CC=C2)C(=O)C1C(=O)OC)C
COC(=O)C1C(=O)C(=CNc2ccccc2)C(=O)CC1(C)C
InChI=1SC17H19NO4c117(2)913(19)12(15(20)14(17)16(21)223)1018117546811h48101418H9H213H3b1210+
methyl(5E)22dimethyl46dioxo5((phenylamino)methylidene)cyclohexanecarboxylate
METHYL(5E)5(ANILINOMETHYLIDENE)22DIMETHYL46DIOXOCYCLOHEXANE1CARBOXYLATE
methyl22dimethyl46dioxo5((phenylamino)methylene)cyclohexanecarboxylate
METHYL66DIMETHYL24DIOXO3((PHENYLAMINO)METHYLENE)CYCLOHEXANECARBOXYLATE
MFCD00564096
ZINC000100318922
ZINC000100318927
ZINC000100671848
ZINC000100671850

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Available files

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