Vitas-M small molecule compound

dimethyl 2-(hexanoylamino)benzene-1,4-dicarboxylate

Catalog ID
STK447789
SMILES CCCCCC(=O)Nc1cc(ccc1C(=O)OC)C(=O)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 C16H21NO5 MW 307.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21NO5/c1-4-5-6-7-14(18)17-13-10-11(15(19)21-2)8-9-12(13)16(20)22-3/h8-10H,4-7H2,1-3H3,(H,17,18)
InChIKey
NNJXGOWXKHETDY-UHFFFAOYSA-N
Synonyms

CCCCCC(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC
dimethyl2(hexanoylamino)benzene14dicarboxylate
InChI=1SC16H21NO5c1456714(18)17131011(15(19)212)8912(13)16(20)223h810H47H213H3(H1718)
METHYL3(HEXANOYLAMINO)4(METHOXYCARBONYL)BENZOATE
MFCD01337716
ZINC000005459822
ZINC05459822
ZINC5459822

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Available files

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