Vitas-M small molecule compound

methyl 2-{4-[(decyloxy)carbonyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

Catalog ID
STK290178
SMILES CCCCCCCCCCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)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 C27H31NO6 MW 465.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO6/c1-3-4-5-6-7-8-9-10-17-34-27(32)19-11-14-21(15-12-19)28-24(29)22-16-13-20(26(31)33-2)18-23(22)25(28)30/h11-16,18H,3-10,17H2,1-2H3
InChIKey
CUSYGVCKNLISBW-UHFFFAOYSA-N
Synonyms

CCCCCCCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OC
InChI=1SC27H31NO6c1345678910173427(32)19111421(151219)2824(29)22161320(26(31)332)1823(22)25(28)30h111618H31017H212H3
methyl2(4((decyloxy)carbonyl)phenyl)13dioxo23dihydro1Hisoindole5carboxylate
METHYL2(4DECOXYCARBONYLPHENYL)13DIOXOISOINDOLE5CARBOXYLATE
MFCD00634882
ZINC000033354513
ZINC33354513

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Available files

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