Vitas-M small molecule compound

dimethyl 5-[(2-ethylbutanoyl)amino]benzene-1,3-dicarboxylate

Catalog ID
STK417592
SMILES CCC(C(=O)Nc1cc(cc(c1)C(=O)OC)C(=O)OC)CC

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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/c1-5-10(6-2)14(18)17-13-8-11(15(19)21-3)7-12(9-13)16(20)22-4/h7-10H,5-6H2,1-4H3,(H,17,18)
InChIKey
TZEKCDYYOXNMGC-UHFFFAOYSA-N
Synonyms
545363-59-5
545363595
CCC(CC)C(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC
dimethyl5((2ethylbutanoyl)amino)benzene13dicarboxylate
DIMETHYL5((2ETHYLBUTANOYL)AMINO)ISOPHTHALATE
DIMETHYL5(2ETHYLBUTANOYLAMINO)BENZENE13DICARBOXYLATE
InChI=1SC16H21NO5c1510(62)14(18)1713811(15(19)213)712(913)16(20)224h710H56H214H3(H1718)
METHYL5(2ETHYLBUTANOYLAMINO)3(METHOXYCARBONYL)BENZOATE
MFCD03386521
ZINC000000461728
ZINC00461728
ZINC461728

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Available files

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