Vitas-M small molecule compound

7-methyl-N-[2-(methylsulfanyl)phenyl]-5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide

Catalog ID
STL386220
SMILES CSc1ccccc1NC(=O)C1CCN(c2c(O1)ccc(c2)C)S(=O)(=O)C

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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 C19H22N2O4S2 MW 406.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N2O4S2/c1-13-8-9-16-15(12-13)21(27(3,23)24)11-10-17(25-16)19(22)20-14-6-4-5-7-18(14)26-2/h4-9,12,17H,10-11H2,1-3H3,(H,20,22)
InChIKey
WMPGEHQAQLCIFC-UHFFFAOYSA-N
Synonyms

7methylN(2(methylsulfanyl)phenyl)5(methylsulfonyl)2345tetrahydro15benzoxazepine2carboxamide
7methylN(2methylsulfanylphenyl)5methylsulfonyl34dihydro2H15benzoxazepine2carboxamide
CC1=CC2=C(C=C1)OC(CCN2S(=O)(=O)C)C(=O)NC3=CC=CC=C3SC
InChI=1SC19H22N2O4S2c113891615(1213)21(27(323)24)111017(2516)19(22)2014645718(14)262h491217H1011H213H3(H2022)
MFCD27225332
ZINC000064988675
ZINC000064988677

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Available files

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