Vitas-M small molecule compound

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methylbenzamide

Catalog ID
STL430191
SMILES Cc1ccc(cc1)C(=O)NCc1ccc2c(c1)OCCCO2

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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 C18H19NO3 MW 297.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19NO3/c1-13-3-6-15(7-4-13)18(20)19-12-14-5-8-16-17(11-14)22-10-2-9-21-16/h3-8,11H,2,9-10,12H2,1H3,(H,19,20)
InChIKey
RVFKGVMBUSJMMJ-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCCCO3
InChI=1SC18H19NO3c1133615(7413)18(20)191214581617(1114)2210292116h3811H291012H21H3(H1920)
MFCD27220861
N(34dihydro2H15benzodioxepin7ylmethyl)4methylbenzamide
ZINC000064667311
ZINC64667311

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Available files

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