Vitas-M small molecule compound

N-benzyl-7-methyl-5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide

Catalog ID
STL386136
SMILES O=C(C1CCN(c2c(O1)ccc(c2)C)S(=O)(=O)C)NCc1ccccc1

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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 C19H22N2O4S MW 374.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N2O4S/c1-14-8-9-17-16(12-14)21(26(2,23)24)11-10-18(25-17)19(22)20-13-15-6-4-3-5-7-15/h3-9,12,18H,10-11,13H2,1-2H3,(H,20,22)
InChIKey
UUGSMBQYLHPHEX-UHFFFAOYSA-N
Synonyms

CC1=CC2=C(C=C1)OC(CCN2S(=O)(=O)C)C(=O)NCC3=CC=CC=C3
InChI=1SC19H22N2O4Sc114891716(1214)21(26(223)24)111018(2517)19(22)2013156435715h391218H101113H212H3(H2022)
MFCD27225251
Nbenzyl7methyl5(methylsulfonyl)2345tetrahydro15benzoxazepine2carboxamide
Nbenzyl7methyl5methylsulfonyl34dihydro2H15benzoxazepine2carboxamide
ZINC000064988431
ZINC000064988432

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Available files

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