Vitas-M small molecule compound

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

Catalog ID
STL386140
SMILES O=C(C1CCN(c2c(O1)ccc(c2)C)S(=O)(=O)C)Nc1ccccc1C

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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/c1-13-8-9-17-16(12-13)21(26(3,23)24)11-10-18(25-17)19(22)20-15-7-5-4-6-14(15)2/h4-9,12,18H,10-11H2,1-3H3,(H,20,22)
InChIKey
QSLPICWALIVNJM-UHFFFAOYSA-N
Synonyms

7methylN(2methylphenyl)5(methylsulfonyl)2345tetrahydro15benzoxazepine2carboxamide
7methylN(2methylphenyl)5methylsulfonyl34dihydro2H15benzoxazepine2carboxamide
CC1=CC2=C(C=C1)OC(CCN2S(=O)(=O)C)C(=O)NC3=CC=CC=C3C
InChI=1SC19H22N2O4Sc113891716(1213)21(26(323)24)111018(2517)19(22)2015754614(15)2h491218H1011H213H3(H2022)
MFCD27225254
ZINC000064988440
ZINC000064988441

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Available files

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