Vitas-M small molecule compound

N-(1,3-benzodioxol-5-ylmethyl)-4-butylcyclohexanecarboxamide

Catalog ID
STK516135
SMILES CCCCC1CCC(CC1)C(=O)NCc1ccc2c(c1)OCO2

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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 C19H27NO3 MW 317.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H27NO3/c1-2-3-4-14-5-8-16(9-6-14)19(21)20-12-15-7-10-17-18(11-15)23-13-22-17/h7,10-11,14,16H,2-6,8-9,12-13H2,1H3,(H,20,21)
InChIKey
BFHLVOPMBVDQLU-UHFFFAOYSA-N
Synonyms
714261-74-2
714261742
CCCCC1CCC(CC1)C(=O)NCC2=CC3=C(C=C2)OCO3
InChI=1SC19H27NO3c1234145816(9614)19(21)2012157101718(1115)23132217h710111416H26891213H21H3(H2021)
MFCD05998434
N(13BENZODIOXOL5YLMETHYL)4BUTYLCYCLOHEXANE1CARBOXAMIDE
N(13benzodioxol5ylmethyl)4butylcyclohexanecarboxamide
ZINC000002866564
ZINC02866564
ZINC2866564

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Available files

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