Vitas-M small molecule compound
ethyl 4-({[7-chloro-5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepin-2-yl]carbonyl}amino)benzoate
Catalog ID
STL389659
SMILES CCOC(=O)c1ccc(cc1)NC(=O)C1CCN(c2c(O1)ccc(c2)Cl)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 C20H21ClN2O6S MW 452.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN2O6S/c1-3-28-20(25)13-4-7-15(8-5-13)22-19(24)18-10-11-23(30(2,26)27)16-12-14(21)6-9-17(16)29-18/h4-9,12,18H,3,10-11H2,1-2H3,(H,22,24)InChIKey
FJPMKVJSSJHATL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C
ethyl4(((7chloro5(methylsulfonyl)2345tetrahydro15benzoxazepin2yl)carbonyl)amino)benzoate
ethyl4((7chloro5methylsulfonyl34dihydro2H15benzoxazepine2carbonyl)amino)benzoate
InChI=1SC20H21ClN2O6Sc132820(25)134715(8513)2219(24)18101123(30(226)27)161214(21)6917(16)2918h491218H31011H212H3(H2224)
MFCD13983425
ZINC000038834505
ZINC000038834506
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