Vitas-M small molecule compound
ethyl 4-({[7-methyl-5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepin-2-yl]carbonyl}amino)benzoate
Catalog ID
STL386161
SMILES CCOC(=O)c1ccc(cc1)NC(=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 C21H24N2O6S MW 432.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O6S/c1-4-28-21(25)15-6-8-16(9-7-15)22-20(24)19-11-12-23(30(3,26)27)17-13-14(2)5-10-18(17)29-19/h5-10,13,19H,4,11-12H2,1-3H3,(H,22,24)InChIKey
NFBWMCLKESVUAY-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(C3=C(O2)C=CC(=C3)C)S(=O)(=O)C
ethyl4(((7methyl5(methylsulfonyl)2345tetrahydro15benzoxazepin2yl)carbonyl)amino)benzoate
ethyl4((7methyl5methylsulfonyl34dihydro2H15benzoxazepine2carbonyl)amino)benzoate
InChI=1SC21H24N2O6Sc142821(25)156816(9715)2220(24)19111223(30(326)27)171314(2)51018(17)2919h5101319H41112H213H3(H2224)
MFCD27225274
ZINC000064988500
ZINC000064988502
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