Vitas-M small molecule compound

N,N'-bis(3,4-dihydro-1H-isochromen-1-ylmethyl)octanediamide

Catalog ID
STK996295
SMILES O=C(NCC1OCCc2c1cccc2)CCCCCCC(=O)NCC1OCCc2c1cccc2

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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 C28H36N2O4 MW 464.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N2O4/c31-27(29-19-25-23-11-7-5-9-21(23)15-17-33-25)13-3-1-2-4-14-28(32)30-20-26-24-12-8-6-10-22(24)16-18-34-26/h5-12,25-26H,1-4,13-20H2,(H,29,31)(H,30,32)
InChIKey
YDOIFJAVWMPPLN-UHFFFAOYSA-N
Synonyms

C1COC(C2=CC=CC=C21)CNC(=O)CCCCCCC(=O)NCC3C4=CC=CC=C4CCO3
InChI=1SC28H36N2O4c3127(291925231175921(23)15173325)1331241428(32)3020262412861022(24)16183426h5122526H141320H2(H2931)(H3032)
MFCD00573513
NNbis(34dihydro1Hisochromen1ylmethyl)octanediamide
OCTANEDIOICACIDBIS((ISOCHROMAN1YLMETHYL)AMIDE)
ZINC000013549670
ZINC000018142017

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Available files

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