Vitas-M small molecule compound
methyl 4-({[5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepin-2-yl]carbonyl}amino)benzoate
Catalog ID
STL389685
SMILES COC(=O)c1ccc(cc1)NC(=O)C1CCN(c2c(O1)cccc2)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 C19H20N2O6S MW 404.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O6S/c1-26-19(23)13-7-9-14(10-8-13)20-18(22)17-11-12-21(28(2,24)25)15-5-3-4-6-16(15)27-17/h3-10,17H,11-12H2,1-2H3,(H,20,22)InChIKey
GYYAYMGVVUWBCO-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C
InChI=1SC19H20N2O6Sc12619(23)137914(10813)2018(22)17111221(28(224)25)15534616(15)2717h31017H1112H212H3(H2022)
methyl4(((5(methylsulfonyl)2345tetrahydro15benzoxazepin2yl)carbonyl)amino)benzoate
methyl4((5methylsulfonyl34dihydro2H15benzoxazepine2carbonyl)amino)benzoate
MFCD13983865
ZINC000038835164
ZINC000038835165
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