Vitas-M small molecule compound

methyl 4-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]benzoate

Catalog ID
STL360881
SMILES COC(=O)c1ccc(cc1)NC1=CC(=O)CC(C1)(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 C16H19NO3 MW 273.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19NO3/c1-16(2)9-13(8-14(18)10-16)17-12-6-4-11(5-7-12)15(19)20-3/h4-8,17H,9-10H2,1-3H3
InChIKey
MVQQLADDVPMMKZ-UHFFFAOYSA-N
Synonyms
172984-90-6
172984906
3(4(METHOXYCARBONYL)ANILINO)55DIMETHYL2CYCLOHEXENE1ONE
CC1(CC(=CC(=O)C1)NC2=CC=C(C=C2)C(=O)OC)C
InChI=1SC16H19NO3c116(2)913(814(18)1016)17126411(5712)15(19)203h4817H910H213H3
methyl4((55dimethyl3oxocyclohex1en1yl)amino)benzoate
METHYL4((55DIMETHYL3OXOCYCLOHEXEN1YL)AMINO)BENZOATE
MFCD00298647
ZINC000006349440
ZINC06349440
ZINC6349440

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Available files

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