Vitas-M small molecule compound
N-(2-ethyl-6-methylphenyl)-5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Catalog ID
STL389815
SMILES CCc1cccc(c1NC(=O)C1CCN(c2c(O1)cccc2)S(=O)(=O)C)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 C20H24N2O4S MW 388.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N2O4S/c1-4-15-9-7-8-14(2)19(15)21-20(23)18-12-13-22(27(3,24)25)16-10-5-6-11-17(16)26-18/h5-11,18H,4,12-13H2,1-3H3,(H,21,23)InChIKey
DXGBRZVSOGHZDF-UHFFFAOYSA-NSynonyms
CCC1=CC=CC(=C1NC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C)C
InChI=1SC20H24N2O4Sc141597814(2)19(15)2120(23)18121322(27(324)25)1610561117(16)2618h51118H41213H213H3(H2123)
MFCD13987572
N(2ethyl6methylphenyl)5(methylsulfonyl)2345tetrahydro15benzoxazepine2carboxamide
N(2ethyl6methylphenyl)5methylsulfonyl34dihydro2H15benzoxazepine2carboxamide
ZINC000038857006
ZINC000038857008
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