Vitas-M small molecule compound

dimethyl 2-[(2-ethylbutanoyl)amino]benzene-1,4-dicarboxylate

Catalog ID
STK417586
SMILES CCC(C(=O)Nc1cc(ccc1C(=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)17-13-9-11(15(19)21-3)7-8-12(13)16(20)22-4/h7-10H,5-6H2,1-4H3,(H,17,18)
InChIKey
DFJWJGXIOIMTDE-UHFFFAOYSA-N
Synonyms

CCC(CC)C(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC
dimethyl2((2ethylbutanoyl)amino)benzene14dicarboxylate
DIMETHYL2((2ETHYLBUTANOYL)AMINO)TEREPHTHALATE
DIMETHYL2(2ETHYLBUTANOYLAMINO)BENZENE14DICARBOXYLATE
InChI=1SC16H21NO5c1510(62)14(18)1713911(15(19)213)7812(13)16(20)224h710H56H214H3(H1718)
METHYL3(2ETHYLBUTANOYLAMINO)4(METHOXYCARBONYL)BENZOATE
MFCD03381912
ZINC000000461232
ZINC00461232
ZINC461232

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Available files

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