Vitas-M small molecule compound

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

Catalog ID
STK063588
SMILES COC(=O)c1cc(NC(=O)CC(C)C)cc(c1)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 C15H19NO5 MW 293.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H19NO5/c1-9(2)5-13(17)16-12-7-10(14(18)20-3)6-11(8-12)15(19)21-4/h6-9H,5H2,1-4H3,(H,16,17)
InChIKey
GCFIDRQGEODJGC-UHFFFAOYSA-N
Synonyms
349419-61-0
349419610
CC(C)CC(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC
COC(=O)c1cc(NC(=O)CC(C)C)cc(c1)C(=O)OC
DIMETHYL5((3METHYLBUTANOYL)AMINO)BENZENE13DICARBOXYLATE
DIMETHYL5((3METHYLBUTANOYL)AMINO)ISOPHTHALATE
DIMETHYL5(3METHYLBUTANOYLAMINO)BENZENE13DICARBOXYLATE
InChI=1SC15H19NO5c19(2)513(17)1612710(14(18)203)611(812)15(19)214h69H5H214H3(H1617)
METHYL3(METHOXYCARBONYL)5(3METHYLBUTANOYLAMINO)BENZOATE
MFCD02860392
STK063588
ZINC000000068121
ZINC00068121
ZINC68121

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Available files

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