Vitas-M small molecule compound
ethyl 2-({[6-methyl-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]carbonyl}amino)benzoate
Catalog ID
STL389663
SMILES CCOC(=O)c1ccccc1NC(=O)C1Oc2ccc(cc2N(C1)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 C20H22N2O6S MW 418.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O6S/c1-4-27-20(24)14-7-5-6-8-15(14)21-19(23)18-12-22(29(3,25)26)16-11-13(2)9-10-17(16)28-18/h5-11,18H,4,12H2,1-3H3,(H,21,23)InChIKey
USAPBGMMMAONRH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=CC=C1NC(=O)C2CN(C3=C(O2)C=CC(=C3)C)S(=O)(=O)C
ethyl2(((6methyl4(methylsulfonyl)34dihydro2H14benzoxazin2yl)carbonyl)amino)benzoate
ethyl2((6methyl4methylsulfonyl23dihydro14benzoxazine2carbonyl)amino)benzoate
InChI=1SC20H22N2O6Sc142720(24)14756815(14)2119(23)181222(29(325)26)161113(2)91017(16)2818h51118H412H213H3(H2123)
MFCD13983502
ZINC000038834622
ZINC000038834623
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