Vitas-M small molecule compound

dimethyl 5-(butanoylamino)benzene-1,3-dicarboxylate

Catalog ID
STK167993
SMILES CCCC(=O)Nc1cc(cc(c1)C(=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 C14H17NO5 MW 279.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17NO5/c1-4-5-12(16)15-11-7-9(13(17)19-2)6-10(8-11)14(18)20-3/h6-8H,4-5H2,1-3H3,(H,15,16)
InChIKey
WFMJLGXWEBKIGG-UHFFFAOYSA-N
Synonyms
519003-73-7
519003737
CCCC(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC
DIMETHYL5(BUTANOYLAMINO)BENZENE13DICARBOXYLATE
DIMETHYL5(BUTYRYLAMINO)ISOPHTHALATE
InChI=1SC14H17NO5c14512(16)151179(13(17)192)610(811)14(18)203h68H45H213H3(H1516)
METHYL5(BUTANOYLAMINO)3(METHOXYCARBONYL)BENZOATE
MFCD02767339
ZINC000000383546
ZINC00383546
ZINC383546

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Available files

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