Vitas-M small molecule compound

8-methyl-N-(3-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Catalog ID
STL430116
SMILES Cc1cccc(c1)NC(=O)c1cc2OCCCOc2cc1C

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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/c1-12-5-3-6-14(9-12)19-18(20)15-11-17-16(10-13(15)2)21-7-4-8-22-17/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,19,20)
InChIKey
UNQYTJYRTCKNBZ-UHFFFAOYSA-N
Synonyms

8methylN(3methylphenyl)34dihydro2H15benzodioxepine7carboxamide
CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2C)OCCCO3
InChI=1SC18H19NO3c11253614(912)1918(20)15111716(1013(15)2)217482217h356911H478H212H3(H1920)
MFCD27220766
ZINC000046077737
ZINC46077737

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Available files

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